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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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/R1211-433fc15d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1211-433fc15d/inputs/seq.fa: 1 curr_seq: _GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUACC 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 90 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: 455 n_atoms_counter: 455 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 90.000000 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: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -361.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.524668 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -350.546259 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -40.022 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: 2 Temperature: 0.900000 Total energy: -491.192522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.192522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.192522 (E_RNA) where: Base-Base interactions energy: -226.082 where: short stacking energy: -223.334 Base-Backbone interact. energy: 0.365 local terms energy: -265.475451 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -58.053 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -47.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -500.034829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.034829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.034829 (E_RNA) where: Base-Base interactions energy: -238.192 where: short stacking energy: -176.872 Base-Backbone interact. energy: 1.173 local terms energy: -263.015325 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -59.409 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -39.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -430.938188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.938188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.938188 (E_RNA) where: Base-Base interactions energy: -185.396 where: short stacking energy: -172.717 Base-Backbone interact. energy: 0.168 local terms energy: -245.710198 where: bonds (distance) C4'-P energy: -54.050 bonds (distance) P-C4' energy: -56.982 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -36.759 tors. eta vs tors. theta energy: -35.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -407.008528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.008528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.008528 (E_RNA) where: Base-Base interactions energy: -158.222 where: short stacking energy: -154.408 Base-Backbone interact. energy: 0.258 local terms energy: -249.044500 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -37.961 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -376.735299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.735299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.735299 (E_RNA) where: Base-Base interactions energy: -154.546 where: short stacking energy: -154.546 Base-Backbone interact. energy: -0.879 local terms energy: -221.310089 where: bonds (distance) C4'-P energy: -55.313 bonds (distance) P-C4' energy: -54.841 flat angles C4'-P-C4' energy: -48.091 flat angles P-C4'-P energy: -35.331 tors. eta vs tors. theta energy: -27.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -362.743884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.743884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.743884 (E_RNA) where: Base-Base interactions energy: -24.021 where: short stacking energy: -24.021 Base-Backbone interact. energy: -0.000 local terms energy: -338.722996 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -75.945 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -40.964 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -360.896360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.896360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.896360 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -349.917950 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -81.407 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -75.514 tors. eta vs tors. theta energy: -40.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -360.933602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.933602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.933602 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -349.955192 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -81.407 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -40.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -361.352106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.352106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.352106 (E_RNA) where: Base-Base interactions energy: -31.016 where: short stacking energy: -31.016 Base-Backbone interact. energy: -0.000 local terms energy: -330.336168 where: bonds (distance) C4'-P energy: -79.693 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -61.981 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -41.279 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: 2 Temperature: 1.350000 Total energy: -360.933602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.933602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.933602 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -349.955192 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -81.407 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -40.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -507.438694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.438694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.438694 (E_RNA) where: Base-Base interactions energy: -225.387 where: short stacking energy: -222.066 Base-Backbone interact. energy: 0.106 local terms energy: -282.157724 where: bonds (distance) C4'-P energy: -54.917 bonds (distance) P-C4' energy: -60.173 flat angles C4'-P-C4' energy: -66.414 flat angles P-C4'-P energy: -36.333 tors. eta vs tors. theta energy: -64.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -578.072166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.072166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.072166 (E_RNA) where: Base-Base interactions energy: -333.201 where: short stacking energy: -204.122 Base-Backbone interact. energy: -0.973 local terms energy: -243.897470 where: bonds (distance) C4'-P energy: -54.037 bonds (distance) P-C4' energy: -52.477 flat angles C4'-P-C4' energy: -62.946 flat angles P-C4'-P energy: -29.804 tors. eta vs tors. theta energy: -44.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -468.791389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.791389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.791389 (E_RNA) where: Base-Base interactions energy: -198.712 where: short stacking energy: -193.986 Base-Backbone interact. energy: -0.423 local terms energy: -269.656517 where: bonds (distance) C4'-P energy: -57.696 bonds (distance) P-C4' energy: -62.285 flat angles C4'-P-C4' energy: -63.172 flat angles P-C4'-P energy: -37.106 tors. eta vs tors. theta energy: -49.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -441.837231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.837231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.837231 (E_RNA) where: Base-Base interactions energy: -211.359 where: short stacking energy: -166.252 Base-Backbone interact. energy: -2.082 local terms energy: -228.396417 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -53.883 flat angles C4'-P-C4' energy: -49.218 flat angles P-C4'-P energy: -37.107 tors. eta vs tors. theta energy: -32.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -388.642302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.642302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.642302 (E_RNA) where: Base-Base interactions energy: -170.116 where: short stacking energy: -118.832 Base-Backbone interact. energy: 0.176 local terms energy: -218.702056 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -47.431 flat angles P-C4'-P energy: -34.354 tors. eta vs tors. theta energy: -22.011 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -457.216781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.216781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.216781 (E_RNA) where: Base-Base interactions energy: -259.053 where: short stacking energy: -131.286 Base-Backbone interact. energy: 2.100 local terms energy: -200.264324 where: bonds (distance) C4'-P energy: -41.677 bonds (distance) P-C4' energy: -53.126 flat angles C4'-P-C4' energy: -49.187 flat angles P-C4'-P energy: -34.865 tors. eta vs tors. theta energy: -21.410 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -351.923040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.923040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.923040 (E_RNA) where: Base-Base interactions energy: -150.837 where: short stacking energy: -122.006 Base-Backbone interact. energy: 0.846 local terms energy: -201.931576 where: bonds (distance) C4'-P energy: -48.704 bonds (distance) P-C4' energy: -57.824 flat angles C4'-P-C4' energy: -47.031 flat angles P-C4'-P energy: -38.352 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -289.529086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.529086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.529086 (E_RNA) where: Base-Base interactions energy: -134.178 where: short stacking energy: -90.731 Base-Backbone interact. energy: 2.808 local terms energy: -158.158976 where: bonds (distance) C4'-P energy: -43.123 bonds (distance) P-C4' energy: -51.081 flat angles C4'-P-C4' energy: -39.678 flat angles P-C4'-P energy: -22.459 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -276.160678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.160678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.160678 (E_RNA) where: Base-Base interactions energy: -105.072 where: short stacking energy: -85.349 Base-Backbone interact. energy: -0.571 local terms energy: -170.516775 where: bonds (distance) C4'-P energy: -49.224 bonds (distance) P-C4' energy: -52.241 flat angles C4'-P-C4' energy: -38.050 flat angles P-C4'-P energy: -29.505 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -249.794164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.794164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.794164 (E_RNA) where: Base-Base interactions energy: -104.342 where: short stacking energy: -48.953 Base-Backbone interact. energy: -1.548 local terms energy: -143.904351 where: bonds (distance) C4'-P energy: -41.913 bonds (distance) P-C4' energy: -50.211 flat angles C4'-P-C4' energy: -32.191 flat angles P-C4'-P energy: -25.801 tors. eta vs tors. theta energy: 6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -642.323281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.323281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.323281 (E_RNA) where: Base-Base interactions energy: -378.021 where: short stacking energy: -211.932 Base-Backbone interact. energy: -2.332 local terms energy: -261.969863 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -54.686 flat angles C4'-P-C4' energy: -58.763 flat angles P-C4'-P energy: -36.347 tors. eta vs tors. theta energy: -49.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -486.198928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.198928 (E_RNA) where: Base-Base interactions energy: -233.404 where: short stacking energy: -193.365 Base-Backbone interact. energy: -0.210 local terms energy: -252.584316 where: bonds (distance) C4'-P energy: -60.300 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -56.208 flat angles P-C4'-P energy: -33.004 tors. eta vs tors. theta energy: -42.142 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -478.948714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.948714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.948714 (E_RNA) where: Base-Base interactions energy: -235.208 where: short stacking energy: -165.919 Base-Backbone interact. energy: -0.485 local terms energy: -243.255416 where: bonds (distance) C4'-P energy: -55.772 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -52.702 flat angles P-C4'-P energy: -30.509 tors. eta vs tors. theta energy: -44.874 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: 4 Temperature: 1.050000 Total energy: -439.473584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.473584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.473584 (E_RNA) where: Base-Base interactions energy: -214.444 where: short stacking energy: -155.860 Base-Backbone interact. energy: -0.766 local terms energy: -224.263275 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -57.789 flat angles C4'-P-C4' energy: -49.932 flat angles P-C4'-P energy: -31.904 tors. eta vs tors. theta energy: -31.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -551.539046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.539046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.539046 (E_RNA) where: Base-Base interactions energy: -334.933 where: short stacking energy: -169.376 Base-Backbone interact. energy: 0.642 local terms energy: -217.247783 where: bonds (distance) C4'-P energy: -47.721 bonds (distance) P-C4' energy: -49.106 flat angles C4'-P-C4' energy: -54.677 flat angles P-C4'-P energy: -30.592 tors. eta vs tors. theta energy: -35.152 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -410.988280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.988280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.988280 (E_RNA) where: Base-Base interactions energy: -201.591 where: short stacking energy: -133.337 Base-Backbone interact. energy: -0.259 local terms energy: -209.138883 where: bonds (distance) C4'-P energy: -57.104 bonds (distance) P-C4' energy: -51.248 flat angles C4'-P-C4' energy: -46.120 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -16.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -314.680427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.680427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.680427 (E_RNA) where: Base-Base interactions energy: -121.464 where: short stacking energy: -111.242 Base-Backbone interact. energy: -1.060 local terms energy: -192.155898 where: bonds (distance) C4'-P energy: -49.074 bonds (distance) P-C4' energy: -58.141 flat angles C4'-P-C4' energy: -50.163 flat angles P-C4'-P energy: -29.206 tors. eta vs tors. theta energy: -5.572 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: 4 Temperature: 1.250000 Total energy: -326.676807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.676807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.676807 (E_RNA) where: Base-Base interactions energy: -137.299 where: short stacking energy: -112.386 Base-Backbone interact. energy: -0.120 local terms energy: -189.258133 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -45.084 flat angles C4'-P-C4' energy: -48.427 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -344.735412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.735412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.735412 (E_RNA) where: Base-Base interactions energy: -156.765 where: short stacking energy: -121.721 Base-Backbone interact. energy: -1.756 local terms energy: -186.214795 where: bonds (distance) C4'-P energy: -48.876 bonds (distance) P-C4' energy: -50.408 flat angles C4'-P-C4' energy: -39.566 flat angles P-C4'-P energy: -29.112 tors. eta vs tors. theta energy: -18.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -245.798508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.798508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.798508 (E_RNA) where: Base-Base interactions energy: -75.343 where: short stacking energy: -65.877 Base-Backbone interact. energy: -2.534 local terms energy: -167.921180 where: bonds (distance) C4'-P energy: -55.152 bonds (distance) P-C4' energy: -57.183 flat angles C4'-P-C4' energy: -36.690 flat angles P-C4'-P energy: -22.917 tors. eta vs tors. theta energy: 4.022 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: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -685.651247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.651247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.651247 (E_RNA) where: Base-Base interactions energy: -413.043 where: short stacking energy: -216.012 Base-Backbone interact. energy: -0.423 local terms energy: -272.185437 where: bonds (distance) C4'-P energy: -62.888 bonds (distance) P-C4' energy: -63.243 flat angles C4'-P-C4' energy: -64.319 flat angles P-C4'-P energy: -31.581 tors. eta vs tors. theta energy: -50.155 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -595.754116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.754116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.754116 (E_RNA) where: Base-Base interactions energy: -344.600 where: short stacking energy: -193.753 Base-Backbone interact. energy: -0.635 local terms energy: -250.519700 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -55.579 flat angles C4'-P-C4' energy: -59.244 flat angles P-C4'-P energy: -33.071 tors. eta vs tors. theta energy: -46.889 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -491.521178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.521178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.521178 (E_RNA) where: Base-Base interactions energy: -266.340 where: short stacking energy: -160.193 Base-Backbone interact. energy: -0.169 local terms energy: -225.012220 where: bonds (distance) C4'-P energy: -46.867 bonds (distance) P-C4' energy: -47.624 flat angles C4'-P-C4' energy: -63.630 flat angles P-C4'-P energy: -36.086 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: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -642.232585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.232585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.232585 (E_RNA) where: Base-Base interactions energy: -397.890 where: short stacking energy: -227.088 Base-Backbone interact. energy: 1.469 local terms energy: -245.811406 where: bonds (distance) C4'-P energy: -48.910 bonds (distance) P-C4' energy: -54.550 flat angles C4'-P-C4' energy: -56.517 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: -53.692 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -418.369831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.369831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.369831 (E_RNA) where: Base-Base interactions energy: -222.685 where: short stacking energy: -120.443 Base-Backbone interact. energy: -1.126 local terms energy: -194.558701 where: bonds (distance) C4'-P energy: -54.739 bonds (distance) P-C4' energy: -59.252 flat angles C4'-P-C4' energy: -44.886 flat angles P-C4'-P energy: -20.891 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -387.796213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.796213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.796213 (E_RNA) where: Base-Base interactions energy: -179.637 where: short stacking energy: -132.564 Base-Backbone interact. energy: 0.779 local terms energy: -208.938386 where: bonds (distance) C4'-P energy: -45.739 bonds (distance) P-C4' energy: -51.232 flat angles C4'-P-C4' energy: -54.061 flat angles P-C4'-P energy: -32.310 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -335.209188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.209188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.209188 (E_RNA) where: Base-Base interactions energy: -135.310 where: short stacking energy: -99.851 Base-Backbone interact. energy: -0.693 local terms energy: -199.206650 where: bonds (distance) C4'-P energy: -52.632 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -48.733 flat angles P-C4'-P energy: -34.107 tors. eta vs tors. theta energy: -6.460 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: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -331.464790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.464790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.464790 (E_RNA) where: Base-Base interactions energy: -164.938 where: short stacking energy: -100.243 Base-Backbone interact. energy: -0.366 local terms energy: -166.160435 where: bonds (distance) C4'-P energy: -49.864 bonds (distance) P-C4' energy: -49.713 flat angles C4'-P-C4' energy: -37.833 flat angles P-C4'-P energy: -20.273 tors. eta vs tors. theta energy: -8.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -363.713972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.713972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.713972 (E_RNA) where: Base-Base interactions energy: -200.495 where: short stacking energy: -104.264 Base-Backbone interact. energy: 1.637 local terms energy: -164.856225 where: bonds (distance) C4'-P energy: -48.966 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -26.564 flat angles P-C4'-P energy: -22.379 tors. eta vs tors. theta energy: -8.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -243.728862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.728862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.728862 (E_RNA) where: Base-Base interactions energy: -89.653 where: short stacking energy: -80.744 Base-Backbone interact. energy: -0.522 local terms energy: -153.553627 where: bonds (distance) C4'-P energy: -49.156 bonds (distance) P-C4' energy: -50.779 flat angles C4'-P-C4' energy: -32.180 flat angles P-C4'-P energy: -31.652 tors. eta vs tors. theta energy: 10.213 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: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -721.043062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.043062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.043062 (E_RNA) where: Base-Base interactions energy: -457.305 where: short stacking energy: -239.210 Base-Backbone interact. energy: -0.299 local terms energy: -263.439473 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -56.468 flat angles C4'-P-C4' energy: -57.782 flat angles P-C4'-P energy: -36.649 tors. eta vs tors. theta energy: -54.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -669.357668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.357668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.357668 (E_RNA) where: Base-Base interactions energy: -405.384 where: short stacking energy: -240.336 Base-Backbone interact. energy: -1.700 local terms energy: -262.272931 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -58.065 flat angles P-C4'-P energy: -34.350 tors. eta vs tors. theta energy: -57.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -723.245301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.245301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.245301 (E_RNA) where: Base-Base interactions energy: -460.551 where: short stacking energy: -226.504 Base-Backbone interact. energy: -0.817 local terms energy: -261.877033 where: bonds (distance) C4'-P energy: -61.727 bonds (distance) P-C4' energy: -61.627 flat angles C4'-P-C4' energy: -49.444 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -52.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -486.451960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.451960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.451960 (E_RNA) where: Base-Base interactions energy: -277.948 where: short stacking energy: -182.291 Base-Backbone interact. energy: 0.084 local terms energy: -208.588145 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -42.294 flat angles P-C4'-P energy: -23.826 tors. eta vs tors. theta energy: -34.290 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: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -459.692678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.692678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.692678 (E_RNA) where: Base-Base interactions energy: -219.817 where: short stacking energy: -147.772 Base-Backbone interact. energy: 2.162 local terms energy: -242.038021 where: bonds (distance) C4'-P energy: -55.876 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -56.437 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: -35.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -421.488697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.488697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.488697 (E_RNA) where: Base-Base interactions energy: -231.004 where: short stacking energy: -134.380 Base-Backbone interact. energy: -2.002 local terms energy: -188.483526 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -55.335 flat angles C4'-P-C4' energy: -40.768 flat angles P-C4'-P energy: -25.687 tors. eta vs tors. theta energy: -10.998 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: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -347.224021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.224021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.224021 (E_RNA) where: Base-Base interactions energy: -164.644 where: short stacking energy: -90.853 Base-Backbone interact. energy: -1.326 local terms energy: -181.254335 where: bonds (distance) C4'-P energy: -49.666 bonds (distance) P-C4' energy: -54.101 flat angles C4'-P-C4' energy: -54.409 flat angles P-C4'-P energy: -21.248 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -340.458036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.458036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.458036 (E_RNA) where: Base-Base interactions energy: -143.326 where: short stacking energy: -104.232 Base-Backbone interact. energy: -0.878 local terms energy: -196.253959 where: bonds (distance) C4'-P energy: -50.725 bonds (distance) P-C4' energy: -54.107 flat angles C4'-P-C4' energy: -55.139 flat angles P-C4'-P energy: -23.932 tors. eta vs tors. theta energy: -12.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -410.549168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.549168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.549168 (E_RNA) where: Base-Base interactions energy: -230.143 where: short stacking energy: -116.652 Base-Backbone interact. energy: -1.180 local terms energy: -179.225529 where: bonds (distance) C4'-P energy: -44.107 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -49.814 flat angles P-C4'-P energy: -25.055 tors. eta vs tors. theta energy: -8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -274.084995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.084995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.084995 (E_RNA) where: Base-Base interactions energy: -120.940 where: short stacking energy: -72.497 Base-Backbone interact. energy: -0.935 local terms energy: -152.210350 where: bonds (distance) C4'-P energy: -44.913 bonds (distance) P-C4' energy: -50.728 flat angles C4'-P-C4' energy: -31.427 flat angles P-C4'-P energy: -24.628 tors. eta vs tors. theta energy: -0.515 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: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -753.575855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.575855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.575855 (E_RNA) where: Base-Base interactions energy: -473.646 where: short stacking energy: -221.307 Base-Backbone interact. energy: -2.728 local terms energy: -277.202307 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -55.716 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -52.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -748.201716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.201716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.201716 (E_RNA) where: Base-Base interactions energy: -476.340 where: short stacking energy: -207.167 Base-Backbone interact. energy: -1.112 local terms energy: -270.750342 where: bonds (distance) C4'-P energy: -59.354 bonds (distance) P-C4' energy: -53.894 flat angles C4'-P-C4' energy: -54.736 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: -53.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -664.408667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.408667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.408667 (E_RNA) where: Base-Base interactions energy: -405.859 where: short stacking energy: -205.202 Base-Backbone interact. energy: -0.311 local terms energy: -258.238828 where: bonds (distance) C4'-P energy: -53.742 bonds (distance) P-C4' energy: -52.122 flat angles C4'-P-C4' energy: -55.609 flat angles P-C4'-P energy: -41.142 tors. eta vs tors. theta energy: -55.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -489.834329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.834329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.834329 (E_RNA) where: Base-Base interactions energy: -276.454 where: short stacking energy: -171.678 Base-Backbone interact. energy: -1.373 local terms energy: -212.007243 where: bonds (distance) C4'-P energy: -48.850 bonds (distance) P-C4' energy: -55.604 flat angles C4'-P-C4' energy: -55.591 flat angles P-C4'-P energy: -24.849 tors. eta vs tors. theta energy: -27.114 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -490.681664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.681664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.681664 (E_RNA) where: Base-Base interactions energy: -266.000 where: short stacking energy: -175.994 Base-Backbone interact. energy: 0.759 local terms energy: -225.440395 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -52.338 flat angles C4'-P-C4' energy: -45.415 flat angles P-C4'-P energy: -38.427 tors. eta vs tors. theta energy: -31.969 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: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -437.878033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.878033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.878033 (E_RNA) where: Base-Base interactions energy: -228.825 where: short stacking energy: -125.390 Base-Backbone interact. energy: -3.021 local terms energy: -206.032021 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -48.769 flat angles C4'-P-C4' energy: -53.325 flat angles P-C4'-P energy: -31.489 tors. eta vs tors. theta energy: -16.447 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -295.048359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.048359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.048359 (E_RNA) where: Base-Base interactions energy: -108.431 where: short stacking energy: -88.589 Base-Backbone interact. energy: -1.876 local terms energy: -184.741432 where: bonds (distance) C4'-P energy: -47.284 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -43.538 flat angles P-C4'-P energy: -24.974 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: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -403.040346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.040346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.040346 (E_RNA) where: Base-Base interactions energy: -215.951 where: short stacking energy: -125.272 Base-Backbone interact. energy: -0.603 local terms energy: -186.485917 where: bonds (distance) C4'-P energy: -56.071 bonds (distance) P-C4' energy: -53.955 flat angles C4'-P-C4' energy: -39.677 flat angles P-C4'-P energy: -28.388 tors. eta vs tors. theta energy: -8.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -286.778696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.778696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.778696 (E_RNA) where: Base-Base interactions energy: -111.696 where: short stacking energy: -82.446 Base-Backbone interact. energy: 2.426 local terms energy: -177.508160 where: bonds (distance) C4'-P energy: -48.215 bonds (distance) P-C4' energy: -52.796 flat angles C4'-P-C4' energy: -47.161 flat angles P-C4'-P energy: -34.038 tors. eta vs tors. theta energy: 4.703 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: 7 Temperature: 1.350000 Total energy: -308.173704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.173704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.173704 (E_RNA) where: Base-Base interactions energy: -142.547 where: short stacking energy: -76.384 Base-Backbone interact. energy: -0.495 local terms energy: -165.131784 where: bonds (distance) C4'-P energy: -51.076 bonds (distance) P-C4' energy: -50.734 flat angles C4'-P-C4' energy: -42.831 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: 10.196 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: 8 Temperature: 0.900000 Total energy: -791.471149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.471149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.471149 (E_RNA) where: Base-Base interactions energy: -516.052 where: short stacking energy: -238.933 Base-Backbone interact. energy: -1.040 local terms energy: -274.379125 where: bonds (distance) C4'-P energy: -55.497 bonds (distance) P-C4' energy: -58.009 flat angles C4'-P-C4' energy: -63.718 flat angles P-C4'-P energy: -39.566 tors. eta vs tors. theta energy: -57.589 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: 6 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -748.646415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.646415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.646415 (E_RNA) where: Base-Base interactions energy: -479.416 where: short stacking energy: -225.106 Base-Backbone interact. energy: -0.956 local terms energy: -268.275180 where: bonds (distance) C4'-P energy: -57.194 bonds (distance) P-C4' energy: -57.372 flat angles C4'-P-C4' energy: -62.855 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: -49.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -686.848169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.848169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.848169 (E_RNA) where: Base-Base interactions energy: -413.714 where: short stacking energy: -218.399 Base-Backbone interact. energy: -0.241 local terms energy: -272.893386 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -52.206 flat angles C4'-P-C4' energy: -60.860 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -57.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -521.505378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.505378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.505378 (E_RNA) where: Base-Base interactions energy: -309.298 where: short stacking energy: -137.262 Base-Backbone interact. energy: -1.942 local terms energy: -210.265004 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -62.124 flat angles C4'-P-C4' energy: -46.845 flat angles P-C4'-P energy: -27.086 tors. eta vs tors. theta energy: -18.944 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -530.692021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.692021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.692021 (E_RNA) where: Base-Base interactions energy: -298.413 where: short stacking energy: -168.076 Base-Backbone interact. energy: -1.721 local terms energy: -230.558073 where: bonds (distance) C4'-P energy: -51.765 bonds (distance) P-C4' energy: -58.557 flat angles C4'-P-C4' energy: -43.117 flat angles P-C4'-P energy: -38.232 tors. eta vs tors. theta energy: -38.887 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: 8 Temperature: 1.150000 Total energy: -486.078301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.078301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.078301 (E_RNA) where: Base-Base interactions energy: -281.277 where: short stacking energy: -159.751 Base-Backbone interact. energy: 3.156 local terms energy: -207.956840 where: bonds (distance) C4'-P energy: -47.520 bonds (distance) P-C4' energy: -51.729 flat angles C4'-P-C4' energy: -52.138 flat angles P-C4'-P energy: -27.502 tors. eta vs tors. theta energy: -29.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -443.194444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.194444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.194444 (E_RNA) where: Base-Base interactions energy: -247.697 where: short stacking energy: -136.983 Base-Backbone interact. energy: -0.454 local terms energy: -195.042811 where: bonds (distance) C4'-P energy: -43.995 bonds (distance) P-C4' energy: -53.630 flat angles C4'-P-C4' energy: -53.742 flat angles P-C4'-P energy: -27.034 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -333.729276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.729276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.729276 (E_RNA) where: Base-Base interactions energy: -143.063 where: short stacking energy: -90.504 Base-Backbone interact. energy: 0.328 local terms energy: -190.993841 where: bonds (distance) C4'-P energy: -50.641 bonds (distance) P-C4' energy: -61.002 flat angles C4'-P-C4' energy: -45.270 flat angles P-C4'-P energy: -27.958 tors. eta vs tors. theta energy: -6.123 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: 8 Temperature: 1.300000 Total energy: -393.964424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.964424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.964424 (E_RNA) where: Base-Base interactions energy: -233.152 where: short stacking energy: -135.993 Base-Backbone interact. energy: 2.204 local terms energy: -163.015635 where: bonds (distance) C4'-P energy: -49.150 bonds (distance) P-C4' energy: -46.364 flat angles C4'-P-C4' energy: -48.047 flat angles P-C4'-P energy: -12.972 tors. eta vs tors. theta energy: -6.484 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: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -245.750039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.750039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.750039 (E_RNA) where: Base-Base interactions energy: -96.506 where: short stacking energy: -82.917 Base-Backbone interact. energy: 1.392 local terms energy: -150.636140 where: bonds (distance) C4'-P energy: -37.599 bonds (distance) P-C4' energy: -53.096 flat angles C4'-P-C4' energy: -37.235 flat angles P-C4'-P energy: -32.688 tors. eta vs tors. theta energy: 9.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -782.433212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.433212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.433212 (E_RNA) where: Base-Base interactions energy: -512.633 where: short stacking energy: -227.925 Base-Backbone interact. energy: -2.788 local terms energy: -267.012739 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -62.146 flat angles P-C4'-P energy: -37.865 tors. eta vs tors. theta energy: -45.574 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: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -733.261633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.261633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.261633 (E_RNA) where: Base-Base interactions energy: -456.709 where: short stacking energy: -220.761 Base-Backbone interact. energy: -0.707 local terms energy: -275.845223 where: bonds (distance) C4'-P energy: -57.803 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: -48.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -693.667068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.667068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.667068 (E_RNA) where: Base-Base interactions energy: -417.386 where: short stacking energy: -218.006 Base-Backbone interact. energy: -0.500 local terms energy: -275.781269 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -59.844 flat angles C4'-P-C4' energy: -49.047 flat angles P-C4'-P energy: -40.893 tors. eta vs tors. theta energy: -69.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -573.987358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.987358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.987358 (E_RNA) where: Base-Base interactions energy: -334.569 where: short stacking energy: -190.149 Base-Backbone interact. energy: -0.993 local terms energy: -238.425105 where: bonds (distance) C4'-P energy: -53.513 bonds (distance) P-C4' energy: -48.178 flat angles C4'-P-C4' energy: -54.602 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -44.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -547.366271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.366271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.366271 (E_RNA) where: Base-Base interactions energy: -295.174 where: short stacking energy: -159.892 Base-Backbone interact. energy: -3.005 local terms energy: -249.187753 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -53.964 flat angles C4'-P-C4' energy: -62.088 flat angles P-C4'-P energy: -41.271 tors. eta vs tors. theta energy: -35.998 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: 9 Temperature: 1.150000 Total energy: -478.779655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.779655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.779655 (E_RNA) where: Base-Base interactions energy: -257.118 where: short stacking energy: -139.246 Base-Backbone interact. energy: 0.450 local terms energy: -222.111361 where: bonds (distance) C4'-P energy: -60.340 bonds (distance) P-C4' energy: -56.327 flat angles C4'-P-C4' energy: -50.029 flat angles P-C4'-P energy: -31.504 tors. eta vs tors. theta energy: -23.912 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: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -460.863951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.863951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.863951 (E_RNA) where: Base-Base interactions energy: -262.791 where: short stacking energy: -135.189 Base-Backbone interact. energy: 1.736 local terms energy: -199.809047 where: bonds (distance) C4'-P energy: -52.633 bonds (distance) P-C4' energy: -53.470 flat angles C4'-P-C4' energy: -51.050 flat angles P-C4'-P energy: -21.360 tors. eta vs tors. theta energy: -21.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -467.415585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.415585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.415585 (E_RNA) where: Base-Base interactions energy: -273.633 where: short stacking energy: -132.509 Base-Backbone interact. energy: 0.385 local terms energy: -194.167486 where: bonds (distance) C4'-P energy: -53.875 bonds (distance) P-C4' energy: -48.707 flat angles C4'-P-C4' energy: -50.795 flat angles P-C4'-P energy: -20.136 tors. eta vs tors. theta energy: -20.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -329.188987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.188987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.188987 (E_RNA) where: Base-Base interactions energy: -175.252 where: short stacking energy: -92.574 Base-Backbone interact. energy: 0.023 local terms energy: -153.960763 where: bonds (distance) C4'-P energy: -41.342 bonds (distance) P-C4' energy: -45.504 flat angles C4'-P-C4' energy: -48.993 flat angles P-C4'-P energy: -15.203 tors. eta vs tors. theta energy: -2.919 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: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -263.589328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.589328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.589328 (E_RNA) where: Base-Base interactions energy: -111.339 where: short stacking energy: -80.351 Base-Backbone interact. energy: -0.847 local terms energy: -151.403440 where: bonds (distance) C4'-P energy: -45.307 bonds (distance) P-C4' energy: -42.373 flat angles C4'-P-C4' energy: -39.190 flat angles P-C4'-P energy: -19.495 tors. eta vs tors. theta energy: -5.038 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: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -796.533013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.533013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.533013 (E_RNA) where: Base-Base interactions energy: -505.150 where: short stacking energy: -251.605 Base-Backbone interact. energy: -1.604 local terms energy: -289.779768 where: bonds (distance) C4'-P energy: -52.001 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -67.203 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -67.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -735.034894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.034894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.034894 (E_RNA) where: Base-Base interactions energy: -489.810 where: short stacking energy: -212.251 Base-Backbone interact. energy: -0.509 local terms energy: -244.716550 where: bonds (distance) C4'-P energy: -49.030 bonds (distance) P-C4' energy: -58.805 flat angles C4'-P-C4' energy: -57.115 flat angles P-C4'-P energy: -30.710 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: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -701.282867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.282867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.282867 (E_RNA) where: Base-Base interactions energy: -426.825 where: short stacking energy: -205.459 Base-Backbone interact. energy: -0.272 local terms energy: -274.186269 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -58.608 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -58.753 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: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -677.345100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.345100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.345100 (E_RNA) where: Base-Base interactions energy: -407.151 where: short stacking energy: -206.947 Base-Backbone interact. energy: 0.056 local terms energy: -270.250382 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -50.131 flat angles C4'-P-C4' energy: -59.592 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -60.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -552.471415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.471415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.471415 (E_RNA) where: Base-Base interactions energy: -314.546 where: short stacking energy: -190.999 Base-Backbone interact. energy: -0.864 local terms energy: -237.062318 where: bonds (distance) C4'-P energy: -48.276 bonds (distance) P-C4' energy: -52.264 flat angles C4'-P-C4' energy: -62.422 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -38.648 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -472.557244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.557244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.557244 (E_RNA) where: Base-Base interactions energy: -254.992 where: short stacking energy: -147.828 Base-Backbone interact. energy: -1.575 local terms energy: -215.990367 where: bonds (distance) C4'-P energy: -47.267 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -52.029 flat angles P-C4'-P energy: -27.760 tors. eta vs tors. theta energy: -27.290 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: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -509.357347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.357347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.357347 (E_RNA) where: Base-Base interactions energy: -312.090 where: short stacking energy: -127.690 Base-Backbone interact. energy: -2.085 local terms energy: -195.181661 where: bonds (distance) C4'-P energy: -40.853 bonds (distance) P-C4' energy: -54.986 flat angles C4'-P-C4' energy: -53.066 flat angles P-C4'-P energy: -32.405 tors. eta vs tors. theta energy: -13.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -432.560007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.560007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.560007 (E_RNA) where: Base-Base interactions energy: -238.638 where: short stacking energy: -141.460 Base-Backbone interact. energy: -0.265 local terms energy: -193.657290 where: bonds (distance) C4'-P energy: -56.750 bonds (distance) P-C4' energy: -50.000 flat angles C4'-P-C4' energy: -46.019 flat angles P-C4'-P energy: -26.583 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -380.919623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.919623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.919623 (E_RNA) where: Base-Base interactions energy: -208.213 where: short stacking energy: -114.692 Base-Backbone interact. energy: 3.043 local terms energy: -175.749644 where: bonds (distance) C4'-P energy: -36.330 bonds (distance) P-C4' energy: -43.227 flat angles C4'-P-C4' energy: -44.763 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -16.690 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -262.876463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.876463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.876463 (E_RNA) where: Base-Base interactions energy: -105.938 where: short stacking energy: -79.292 Base-Backbone interact. energy: -1.244 local terms energy: -155.694526 where: bonds (distance) C4'-P energy: -38.572 bonds (distance) P-C4' energy: -54.707 flat angles C4'-P-C4' energy: -36.910 flat angles P-C4'-P energy: -24.905 tors. eta vs tors. theta energy: -0.600 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: 11 Temperature: 0.900000 Total energy: -804.747392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.747392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.747392 (E_RNA) where: Base-Base interactions energy: -512.611 where: short stacking energy: -262.909 Base-Backbone interact. energy: -1.562 local terms energy: -290.573882 where: bonds (distance) C4'-P energy: -54.522 bonds (distance) P-C4' energy: -56.097 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -44.325 tors. eta vs tors. theta energy: -62.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -746.174940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.174940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.174940 (E_RNA) where: Base-Base interactions energy: -483.136 where: short stacking energy: -220.082 Base-Backbone interact. energy: -0.323 local terms energy: -262.715327 where: bonds (distance) C4'-P energy: -44.873 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -48.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -698.081934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.081934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.081934 (E_RNA) where: Base-Base interactions energy: -436.619 where: short stacking energy: -215.337 Base-Backbone interact. energy: -3.081 local terms energy: -258.381548 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -49.350 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: -51.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -660.516954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.516954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.516954 (E_RNA) where: Base-Base interactions energy: -415.725 where: short stacking energy: -223.355 Base-Backbone interact. energy: -1.189 local terms energy: -243.603049 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -46.060 flat angles C4'-P-C4' energy: -55.255 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -57.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -519.308143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.308143 (E_RNA) where: Base-Base interactions energy: -291.639 where: short stacking energy: -148.221 Base-Backbone interact. energy: -3.062 local terms energy: -224.607876 where: bonds (distance) C4'-P energy: -48.806 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -49.342 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -20.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -567.450321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.450321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.450321 (E_RNA) where: Base-Base interactions energy: -373.654 where: short stacking energy: -158.124 Base-Backbone interact. energy: 0.999 local terms energy: -194.795427 where: bonds (distance) C4'-P energy: -52.520 bonds (distance) P-C4' energy: -39.023 flat angles C4'-P-C4' energy: -49.355 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -19.310 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: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -485.579558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.579558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.579558 (E_RNA) where: Base-Base interactions energy: -267.730 where: short stacking energy: -132.731 Base-Backbone interact. energy: -0.871 local terms energy: -216.978641 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -59.593 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -34.015 tors. eta vs tors. theta energy: -16.289 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: 11 Temperature: 1.250000 Total energy: -430.981354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.981354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.981354 (E_RNA) where: Base-Base interactions energy: -234.121 where: short stacking energy: -99.456 Base-Backbone interact. energy: -1.073 local terms energy: -195.786976 where: bonds (distance) C4'-P energy: -51.706 bonds (distance) P-C4' energy: -48.089 flat angles C4'-P-C4' energy: -50.585 flat angles P-C4'-P energy: -31.487 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -445.316497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.316497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.316497 (E_RNA) where: Base-Base interactions energy: -276.400 where: short stacking energy: -143.938 Base-Backbone interact. energy: 0.747 local terms energy: -169.663842 where: bonds (distance) C4'-P energy: -47.496 bonds (distance) P-C4' energy: -45.993 flat angles C4'-P-C4' energy: -38.348 flat angles P-C4'-P energy: -17.019 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -257.827190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.827190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.827190 (E_RNA) where: Base-Base interactions energy: -110.198 where: short stacking energy: -93.577 Base-Backbone interact. energy: 1.668 local terms energy: -149.297845 where: bonds (distance) C4'-P energy: -40.293 bonds (distance) P-C4' energy: -58.732 flat angles C4'-P-C4' energy: -28.817 flat angles P-C4'-P energy: -27.195 tors. eta vs tors. theta energy: 5.738 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: 12 Temperature: 0.900000 Total energy: -817.112334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.112334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.112334 (E_RNA) where: Base-Base interactions energy: -527.123 where: short stacking energy: -249.906 Base-Backbone interact. energy: 0.287 local terms energy: -290.275501 where: bonds (distance) C4'-P energy: -58.964 bonds (distance) P-C4' energy: -65.279 flat angles C4'-P-C4' energy: -62.530 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -65.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -751.248122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.248122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.248122 (E_RNA) where: Base-Base interactions energy: -471.848 where: short stacking energy: -231.462 Base-Backbone interact. energy: -0.443 local terms energy: -278.957803 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -63.258 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -56.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -694.445869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.445869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.445869 (E_RNA) where: Base-Base interactions energy: -457.705 where: short stacking energy: -193.270 Base-Backbone interact. energy: -0.130 local terms energy: -236.610970 where: bonds (distance) C4'-P energy: -53.617 bonds (distance) P-C4' energy: -52.945 flat angles C4'-P-C4' energy: -48.812 flat angles P-C4'-P energy: -30.712 tors. eta vs tors. theta energy: -50.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -664.785500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.785500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.785500 (E_RNA) where: Base-Base interactions energy: -394.827 where: short stacking energy: -201.498 Base-Backbone interact. energy: -0.743 local terms energy: -269.214951 where: bonds (distance) C4'-P energy: -62.023 bonds (distance) P-C4' energy: -58.334 flat angles C4'-P-C4' energy: -65.456 flat angles P-C4'-P energy: -34.617 tors. eta vs tors. theta energy: -48.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -673.327280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.327280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.327280 (E_RNA) where: Base-Base interactions energy: -437.553 where: short stacking energy: -200.175 Base-Backbone interact. energy: 1.428 local terms energy: -237.202143 where: bonds (distance) C4'-P energy: -44.782 bonds (distance) P-C4' energy: -55.177 flat angles C4'-P-C4' energy: -62.092 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -41.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -512.976269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.976269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.976269 (E_RNA) where: Base-Base interactions energy: -300.731 where: short stacking energy: -168.672 Base-Backbone interact. energy: -2.040 local terms energy: -210.204400 where: bonds (distance) C4'-P energy: -45.524 bonds (distance) P-C4' energy: -52.750 flat angles C4'-P-C4' energy: -59.569 flat angles P-C4'-P energy: -24.386 tors. eta vs tors. theta energy: -27.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -513.910345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.910345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.910345 (E_RNA) where: Base-Base interactions energy: -285.322 where: short stacking energy: -128.659 Base-Backbone interact. energy: -2.167 local terms energy: -226.421461 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -53.422 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -26.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -417.252786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.252786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.252786 (E_RNA) where: Base-Base interactions energy: -258.382 where: short stacking energy: -124.482 Base-Backbone interact. energy: 0.682 local terms energy: -159.553089 where: bonds (distance) C4'-P energy: -43.826 bonds (distance) P-C4' energy: -47.022 flat angles C4'-P-C4' energy: -37.627 flat angles P-C4'-P energy: -22.778 tors. eta vs tors. theta energy: -8.300 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: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -506.811297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.811297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.811297 (E_RNA) where: Base-Base interactions energy: -301.446 where: short stacking energy: -156.738 Base-Backbone interact. energy: 0.548 local terms energy: -205.913367 where: bonds (distance) C4'-P energy: -48.662 bonds (distance) P-C4' energy: -46.645 flat angles C4'-P-C4' energy: -48.319 flat angles P-C4'-P energy: -19.379 tors. eta vs tors. theta energy: -42.907 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -238.580719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.580719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.580719 (E_RNA) where: Base-Base interactions energy: -98.269 where: short stacking energy: -91.963 Base-Backbone interact. energy: -0.579 local terms energy: -139.733419 where: bonds (distance) C4'-P energy: -44.965 bonds (distance) P-C4' energy: -30.994 flat angles C4'-P-C4' energy: -35.926 flat angles P-C4'-P energy: -22.849 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -829.878790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.878790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.878790 (E_RNA) where: Base-Base interactions energy: -551.954 where: short stacking energy: -244.277 Base-Backbone interact. energy: -3.192 local terms energy: -274.732617 where: bonds (distance) C4'-P energy: -50.341 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -65.086 flat angles P-C4'-P energy: -39.895 tors. eta vs tors. theta energy: -63.731 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: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -809.663734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.663734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.663734 (E_RNA) where: Base-Base interactions energy: -530.560 where: short stacking energy: -246.488 Base-Backbone interact. energy: -0.216 local terms energy: -278.887542 where: bonds (distance) C4'-P energy: -55.536 bonds (distance) P-C4' energy: -59.558 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -34.908 tors. eta vs tors. theta energy: -68.353 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: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -754.731654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.731654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.731654 (E_RNA) where: Base-Base interactions energy: -511.643 where: short stacking energy: -226.483 Base-Backbone interact. energy: 2.014 local terms energy: -245.102077 where: bonds (distance) C4'-P energy: -52.821 bonds (distance) P-C4' energy: -56.341 flat angles C4'-P-C4' energy: -57.911 flat angles P-C4'-P energy: -25.640 tors. eta vs tors. theta energy: -52.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -723.645610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.645610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.645610 (E_RNA) where: Base-Base interactions energy: -478.782 where: short stacking energy: -209.023 Base-Backbone interact. energy: -2.258 local terms energy: -242.606287 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -58.893 flat angles P-C4'-P energy: -24.576 tors. eta vs tors. theta energy: -54.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -594.120195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.120195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.120195 (E_RNA) where: Base-Base interactions energy: -365.922 where: short stacking energy: -191.264 Base-Backbone interact. energy: 0.747 local terms energy: -228.945382 where: bonds (distance) C4'-P energy: -45.788 bonds (distance) P-C4' energy: -49.163 flat angles C4'-P-C4' energy: -58.918 flat angles P-C4'-P energy: -22.501 tors. eta vs tors. theta energy: -52.576 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: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -663.324376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.324376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.324376 (E_RNA) where: Base-Base interactions energy: -446.491 where: short stacking energy: -213.548 Base-Backbone interact. energy: -0.752 local terms energy: -216.080912 where: bonds (distance) C4'-P energy: -30.404 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -52.574 flat angles P-C4'-P energy: -27.456 tors. eta vs tors. theta energy: -52.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -434.139649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.139649 (E_RNA) where: Base-Base interactions energy: -261.704 where: short stacking energy: -144.977 Base-Backbone interact. energy: -0.221 local terms energy: -172.214948 where: bonds (distance) C4'-P energy: -41.946 bonds (distance) P-C4' energy: -51.222 flat angles C4'-P-C4' energy: -41.490 flat angles P-C4'-P energy: -22.082 tors. eta vs tors. theta energy: -15.475 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: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -495.131622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.131622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.131622 (E_RNA) where: Base-Base interactions energy: -275.244 where: short stacking energy: -138.574 Base-Backbone interact. energy: -0.422 local terms energy: -219.464919 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -48.485 flat angles P-C4'-P energy: -29.545 tors. eta vs tors. theta energy: -28.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -420.237405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.237405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.237405 (E_RNA) where: Base-Base interactions energy: -224.304 where: short stacking energy: -103.549 Base-Backbone interact. energy: -1.067 local terms energy: -194.866066 where: bonds (distance) C4'-P energy: -62.775 bonds (distance) P-C4' energy: -47.632 flat angles C4'-P-C4' energy: -43.028 flat angles P-C4'-P energy: -31.376 tors. eta vs tors. theta energy: -10.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -227.201426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.201426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.201426 (E_RNA) where: Base-Base interactions energy: -99.893 where: short stacking energy: -75.085 Base-Backbone interact. energy: 1.015 local terms energy: -128.322979 where: bonds (distance) C4'-P energy: -35.045 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -33.140 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: 8.426 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: 14 Temperature: 0.900000 Total energy: -825.399785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.399785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.399785 (E_RNA) where: Base-Base interactions energy: -543.800 where: short stacking energy: -259.563 Base-Backbone interact. energy: -3.139 local terms energy: -278.461064 where: bonds (distance) C4'-P energy: -52.512 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -63.591 flat angles P-C4'-P energy: -41.397 tors. eta vs tors. theta energy: -64.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -786.747791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.747791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.747791 (E_RNA) where: Base-Base interactions energy: -514.131 where: short stacking energy: -249.224 Base-Backbone interact. energy: 0.300 local terms energy: -272.917114 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -46.404 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -36.110 tors. eta vs tors. theta energy: -65.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -769.468437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.468437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.468437 (E_RNA) where: Base-Base interactions energy: -499.521 where: short stacking energy: -237.328 Base-Backbone interact. energy: 0.144 local terms energy: -270.091391 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -54.611 flat angles C4'-P-C4' energy: -61.591 flat angles P-C4'-P energy: -36.269 tors. eta vs tors. theta energy: -64.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -738.204001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.204001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.204001 (E_RNA) where: Base-Base interactions energy: -482.098 where: short stacking energy: -202.088 Base-Backbone interact. energy: 0.916 local terms energy: -257.021866 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -60.439 flat angles P-C4'-P energy: -39.511 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: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -705.808046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.808046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.808046 (E_RNA) where: Base-Base interactions energy: -447.234 where: short stacking energy: -210.657 Base-Backbone interact. energy: 1.392 local terms energy: -259.965978 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -62.410 flat angles C4'-P-C4' energy: -53.201 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -52.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -600.303553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.303553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.303553 (E_RNA) where: Base-Base interactions energy: -388.680 where: short stacking energy: -184.851 Base-Backbone interact. energy: -0.888 local terms energy: -210.735173 where: bonds (distance) C4'-P energy: -38.215 bonds (distance) P-C4' energy: -55.079 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -26.114 tors. eta vs tors. theta energy: -32.418 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: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -561.614387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.614387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.614387 (E_RNA) where: Base-Base interactions energy: -358.522 where: short stacking energy: -152.572 Base-Backbone interact. energy: -0.918 local terms energy: -202.174419 where: bonds (distance) C4'-P energy: -41.896 bonds (distance) P-C4' energy: -52.532 flat angles C4'-P-C4' energy: -44.713 flat angles P-C4'-P energy: -35.361 tors. eta vs tors. theta energy: -27.672 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: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -394.864716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.864716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.864716 (E_RNA) where: Base-Base interactions energy: -210.784 where: short stacking energy: -118.460 Base-Backbone interact. energy: -1.834 local terms energy: -182.246604 where: bonds (distance) C4'-P energy: -43.655 bonds (distance) P-C4' energy: -51.512 flat angles C4'-P-C4' energy: -42.451 flat angles P-C4'-P energy: -30.079 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -465.405997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.405997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.405997 (E_RNA) where: Base-Base interactions energy: -277.111 where: short stacking energy: -136.849 Base-Backbone interact. energy: 4.383 local terms energy: -192.677127 where: bonds (distance) C4'-P energy: -51.150 bonds (distance) P-C4' energy: -43.035 flat angles C4'-P-C4' energy: -45.632 flat angles P-C4'-P energy: -32.077 tors. eta vs tors. theta energy: -20.784 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -268.769920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.769920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.769920 (E_RNA) where: Base-Base interactions energy: -109.756 where: short stacking energy: -93.044 Base-Backbone interact. energy: 0.888 local terms energy: -159.901424 where: bonds (distance) C4'-P energy: -43.662 bonds (distance) P-C4' energy: -54.843 flat angles C4'-P-C4' energy: -38.073 flat angles P-C4'-P energy: -27.686 tors. eta vs tors. theta energy: 4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -818.445174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.445174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.445174 (E_RNA) where: Base-Base interactions energy: -536.040 where: short stacking energy: -233.417 Base-Backbone interact. energy: -0.304 local terms energy: -282.102006 where: bonds (distance) C4'-P energy: -57.134 bonds (distance) P-C4' energy: -62.169 flat angles C4'-P-C4' energy: -60.049 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -58.423 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -782.245087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.245087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.245087 (E_RNA) where: Base-Base interactions energy: -515.859 where: short stacking energy: -238.659 Base-Backbone interact. energy: 0.040 local terms energy: -266.426994 where: bonds (distance) C4'-P energy: -51.813 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -28.417 tors. eta vs tors. theta energy: -64.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -753.788770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.788770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.788770 (E_RNA) where: Base-Base interactions energy: -504.822 where: short stacking energy: -225.344 Base-Backbone interact. energy: -0.609 local terms energy: -248.358243 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -60.428 flat angles P-C4'-P energy: -31.361 tors. eta vs tors. theta energy: -56.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -743.982459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.982459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.982459 (E_RNA) where: Base-Base interactions energy: -490.257 where: short stacking energy: -227.060 Base-Backbone interact. energy: -0.277 local terms energy: -253.448540 where: bonds (distance) C4'-P energy: -48.263 bonds (distance) P-C4' energy: -53.085 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -29.707 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: 5, replica: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -638.115709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.115709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.115709 (E_RNA) where: Base-Base interactions energy: -400.472 where: short stacking energy: -200.521 Base-Backbone interact. energy: -1.207 local terms energy: -236.437408 where: bonds (distance) C4'-P energy: -54.689 bonds (distance) P-C4' energy: -50.232 flat angles C4'-P-C4' energy: -52.406 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: -41.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -587.485053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.485053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.485053 (E_RNA) where: Base-Base interactions energy: -347.333 where: short stacking energy: -171.695 Base-Backbone interact. energy: 0.209 local terms energy: -240.361729 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -54.549 flat angles P-C4'-P energy: -35.542 tors. eta vs tors. theta energy: -36.279 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -570.077853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.077853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.077853 (E_RNA) where: Base-Base interactions energy: -338.548 where: short stacking energy: -175.626 Base-Backbone interact. energy: 1.331 local terms energy: -232.860791 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -50.544 flat angles C4'-P-C4' energy: -55.851 flat angles P-C4'-P energy: -30.204 tors. eta vs tors. theta energy: -44.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -484.577658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.577658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.577658 (E_RNA) where: Base-Base interactions energy: -278.775 where: short stacking energy: -143.496 Base-Backbone interact. energy: -0.340 local terms energy: -205.462325 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -44.109 flat angles P-C4'-P energy: -29.237 tors. eta vs tors. theta energy: -18.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -347.591959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.591959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.591959 (E_RNA) where: Base-Base interactions energy: -169.110 where: short stacking energy: -89.706 Base-Backbone interact. energy: -1.457 local terms energy: -177.025023 where: bonds (distance) C4'-P energy: -49.853 bonds (distance) P-C4' energy: -47.676 flat angles C4'-P-C4' energy: -52.459 flat angles P-C4'-P energy: -25.535 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: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -272.426321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.426321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.426321 (E_RNA) where: Base-Base interactions energy: -117.711 where: short stacking energy: -76.636 Base-Backbone interact. energy: -0.758 local terms energy: -153.956889 where: bonds (distance) C4'-P energy: -48.509 bonds (distance) P-C4' energy: -47.249 flat angles C4'-P-C4' energy: -35.372 flat angles P-C4'-P energy: -24.662 tors. eta vs tors. theta energy: 1.834 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: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -795.694610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.694610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.694610 (E_RNA) where: Base-Base interactions energy: -515.722 where: short stacking energy: -233.888 Base-Backbone interact. energy: -1.229 local terms energy: -278.744014 where: bonds (distance) C4'-P energy: -50.190 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -37.776 tors. eta vs tors. theta energy: -66.232 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -799.482186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.482186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.482186 (E_RNA) where: Base-Base interactions energy: -523.961 where: short stacking energy: -244.580 Base-Backbone interact. energy: -2.252 local terms energy: -273.269911 where: bonds (distance) C4'-P energy: -52.428 bonds (distance) P-C4' energy: -57.878 flat angles C4'-P-C4' energy: -58.908 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -62.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -766.970126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.970126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.970126 (E_RNA) where: Base-Base interactions energy: -511.568 where: short stacking energy: -226.658 Base-Backbone interact. energy: -1.343 local terms energy: -254.059626 where: bonds (distance) C4'-P energy: -49.360 bonds (distance) P-C4' energy: -56.718 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -53.790 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: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -774.589163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.589163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.589163 (E_RNA) where: Base-Base interactions energy: -507.036 where: short stacking energy: -223.796 Base-Backbone interact. energy: 0.442 local terms energy: -267.995645 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -55.644 flat angles P-C4'-P energy: -32.360 tors. eta vs tors. theta energy: -57.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -701.148690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.148690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.148690 (E_RNA) where: Base-Base interactions energy: -454.033 where: short stacking energy: -229.569 Base-Backbone interact. energy: -0.857 local terms energy: -246.258516 where: bonds (distance) C4'-P energy: -51.321 bonds (distance) P-C4' energy: -55.240 flat angles C4'-P-C4' energy: -46.399 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: -54.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -613.745933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.745933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.745933 (E_RNA) where: Base-Base interactions energy: -395.430 where: short stacking energy: -177.401 Base-Backbone interact. energy: -1.238 local terms energy: -217.077617 where: bonds (distance) C4'-P energy: -41.679 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -46.095 flat angles P-C4'-P energy: -31.578 tors. eta vs tors. theta energy: -42.775 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -589.257418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.257418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.257418 (E_RNA) where: Base-Base interactions energy: -369.060 where: short stacking energy: -189.008 Base-Backbone interact. energy: 0.947 local terms energy: -221.144800 where: bonds (distance) C4'-P energy: -52.425 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -46.374 flat angles P-C4'-P energy: -28.851 tors. eta vs tors. theta energy: -35.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -483.896039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.896039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.896039 (E_RNA) where: Base-Base interactions energy: -303.433 where: short stacking energy: -148.583 Base-Backbone interact. energy: 2.161 local terms energy: -182.623686 where: bonds (distance) C4'-P energy: -46.407 bonds (distance) P-C4' energy: -55.321 flat angles C4'-P-C4' energy: -43.678 flat angles P-C4'-P energy: -23.322 tors. eta vs tors. theta energy: -13.896 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -307.851964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.851964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.851964 (E_RNA) where: Base-Base interactions energy: -164.582 where: short stacking energy: -100.172 Base-Backbone interact. energy: 1.819 local terms energy: -145.088899 where: bonds (distance) C4'-P energy: -41.077 bonds (distance) P-C4' energy: -52.308 flat angles C4'-P-C4' energy: -45.898 flat angles P-C4'-P energy: -19.783 tors. eta vs tors. theta energy: 13.976 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: 10, replica: 1 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -301.385643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.385643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.385643 (E_RNA) where: Base-Base interactions energy: -150.278 where: short stacking energy: -94.079 Base-Backbone interact. energy: -0.070 local terms energy: -151.037991 where: bonds (distance) C4'-P energy: -41.469 bonds (distance) P-C4' energy: -44.876 flat angles C4'-P-C4' energy: -38.893 flat angles P-C4'-P energy: -22.618 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -815.966183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.966183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.966183 (E_RNA) where: Base-Base interactions energy: -527.932 where: short stacking energy: -240.641 Base-Backbone interact. energy: -0.715 local terms energy: -287.319403 where: bonds (distance) C4'-P energy: -54.987 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -40.221 tors. eta vs tors. theta energy: -68.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -798.800761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.800761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.800761 (E_RNA) where: Base-Base interactions energy: -522.143 where: short stacking energy: -235.008 Base-Backbone interact. energy: -2.628 local terms energy: -274.029915 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -62.937 flat angles P-C4'-P energy: -36.552 tors. eta vs tors. theta energy: -63.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -771.185464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.185464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.185464 (E_RNA) where: Base-Base interactions energy: -499.275 where: short stacking energy: -248.651 Base-Backbone interact. energy: -0.945 local terms energy: -270.965965 where: bonds (distance) C4'-P energy: -62.140 bonds (distance) P-C4' energy: -53.855 flat angles C4'-P-C4' energy: -58.837 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -59.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -764.348244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.348244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.348244 (E_RNA) where: Base-Base interactions energy: -522.812 where: short stacking energy: -228.866 Base-Backbone interact. energy: 0.539 local terms energy: -242.075957 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -40.581 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -25.746 tors. eta vs tors. theta energy: -59.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -676.703322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.703322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.703322 (E_RNA) where: Base-Base interactions energy: -440.248 where: short stacking energy: -175.277 Base-Backbone interact. energy: -0.792 local terms energy: -235.663442 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -59.660 flat angles C4'-P-C4' energy: -47.946 flat angles P-C4'-P energy: -32.290 tors. eta vs tors. theta energy: -40.247 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: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -625.173835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.173835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.173835 (E_RNA) where: Base-Base interactions energy: -411.909 where: short stacking energy: -184.230 Base-Backbone interact. energy: -0.773 local terms energy: -212.491413 where: bonds (distance) C4'-P energy: -43.496 bonds (distance) P-C4' energy: -46.497 flat angles C4'-P-C4' energy: -50.018 flat angles P-C4'-P energy: -33.687 tors. eta vs tors. theta energy: -38.793 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: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -474.275706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.275706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.275706 (E_RNA) where: Base-Base interactions energy: -270.803 where: short stacking energy: -130.295 Base-Backbone interact. energy: 3.110 local terms energy: -206.582555 where: bonds (distance) C4'-P energy: -59.669 bonds (distance) P-C4' energy: -49.494 flat angles C4'-P-C4' energy: -51.856 flat angles P-C4'-P energy: -26.877 tors. eta vs tors. theta energy: -18.687 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: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -488.603053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.603053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.603053 (E_RNA) where: Base-Base interactions energy: -307.700 where: short stacking energy: -156.796 Base-Backbone interact. energy: 2.507 local terms energy: -183.409715 where: bonds (distance) C4'-P energy: -40.675 bonds (distance) P-C4' energy: -48.349 flat angles C4'-P-C4' energy: -37.697 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -22.447 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -260.388541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.388541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.388541 (E_RNA) where: Base-Base interactions energy: -91.261 where: short stacking energy: -68.846 Base-Backbone interact. energy: -0.042 local terms energy: -169.085843 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -42.167 flat angles P-C4'-P energy: -18.529 tors. eta vs tors. theta energy: 4.717 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: 1 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -314.136557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.136557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.136557 (E_RNA) where: Base-Base interactions energy: -146.069 where: short stacking energy: -97.129 Base-Backbone interact. energy: 0.880 local terms energy: -168.947593 where: bonds (distance) C4'-P energy: -52.705 bonds (distance) P-C4' energy: -51.048 flat angles C4'-P-C4' energy: -40.106 flat angles P-C4'-P energy: -14.604 tors. eta vs tors. theta energy: -10.486 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: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -813.519826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.519826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.519826 (E_RNA) where: Base-Base interactions energy: -544.414 where: short stacking energy: -259.449 Base-Backbone interact. energy: -1.754 local terms energy: -267.351398 where: bonds (distance) C4'-P energy: -57.596 bonds (distance) P-C4' energy: -55.426 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -52.850 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: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -801.367297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.367297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.367297 (E_RNA) where: Base-Base interactions energy: -524.623 where: short stacking energy: -237.681 Base-Backbone interact. energy: -1.763 local terms energy: -274.981200 where: bonds (distance) C4'-P energy: -55.906 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -62.909 flat angles P-C4'-P energy: -31.658 tors. eta vs tors. theta energy: -63.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -781.285499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.285499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.285499 (E_RNA) where: Base-Base interactions energy: -515.604 where: short stacking energy: -254.873 Base-Backbone interact. energy: 2.220 local terms energy: -267.901545 where: bonds (distance) C4'-P energy: -53.120 bonds (distance) P-C4' energy: -53.368 flat angles C4'-P-C4' energy: -60.104 flat angles P-C4'-P energy: -38.688 tors. eta vs tors. theta energy: -62.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -781.555412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.555412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.555412 (E_RNA) where: Base-Base interactions energy: -505.940 where: short stacking energy: -235.314 Base-Backbone interact. energy: -0.825 local terms energy: -274.790252 where: bonds (distance) C4'-P energy: -60.422 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -59.904 flat angles P-C4'-P energy: -35.007 tors. eta vs tors. theta energy: -61.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -677.036085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.036085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.036085 (E_RNA) where: Base-Base interactions energy: -440.397 where: short stacking energy: -188.193 Base-Backbone interact. energy: -0.798 local terms energy: -235.840493 where: bonds (distance) C4'-P energy: -39.327 bonds (distance) P-C4' energy: -56.699 flat angles C4'-P-C4' energy: -60.690 flat angles P-C4'-P energy: -43.597 tors. eta vs tors. theta energy: -35.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -636.610028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.610028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.610028 (E_RNA) where: Base-Base interactions energy: -406.601 where: short stacking energy: -197.669 Base-Backbone interact. energy: -1.682 local terms energy: -228.327637 where: bonds (distance) C4'-P energy: -52.763 bonds (distance) P-C4' energy: -57.464 flat angles C4'-P-C4' energy: -59.467 flat angles P-C4'-P energy: -25.940 tors. eta vs tors. theta energy: -32.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -502.284636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.284636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.284636 (E_RNA) where: Base-Base interactions energy: -276.364 where: short stacking energy: -143.290 Base-Backbone interact. energy: -1.348 local terms energy: -224.572467 where: bonds (distance) C4'-P energy: -44.293 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -53.289 flat angles P-C4'-P energy: -30.749 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: 8, replica: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -466.387466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.387466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.387466 (E_RNA) where: Base-Base interactions energy: -261.782 where: short stacking energy: -145.678 Base-Backbone interact. energy: 0.813 local terms energy: -205.417776 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -53.261 flat angles C4'-P-C4' energy: -53.195 flat angles P-C4'-P energy: -27.772 tors. eta vs tors. theta energy: -24.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -322.198994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.198994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.198994 (E_RNA) where: Base-Base interactions energy: -164.802 where: short stacking energy: -89.807 Base-Backbone interact. energy: 0.261 local terms energy: -157.658882 where: bonds (distance) C4'-P energy: -42.410 bonds (distance) P-C4' energy: -56.951 flat angles C4'-P-C4' energy: -41.107 flat angles P-C4'-P energy: -25.013 tors. eta vs tors. theta energy: 7.821 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -274.039021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.039021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.039021 (E_RNA) where: Base-Base interactions energy: -107.420 where: short stacking energy: -74.469 Base-Backbone interact. energy: -0.128 local terms energy: -166.491729 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -52.656 flat angles C4'-P-C4' energy: -36.674 flat angles P-C4'-P energy: -23.946 tors. eta vs tors. theta energy: 3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -813.810680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.810680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.810680 (E_RNA) where: Base-Base interactions energy: -521.200 where: short stacking energy: -235.774 Base-Backbone interact. energy: -0.361 local terms energy: -292.249509 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -58.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -825.712879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.712879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.712879 (E_RNA) where: Base-Base interactions energy: -559.250 where: short stacking energy: -255.748 Base-Backbone interact. energy: 1.160 local terms energy: -267.622239 where: bonds (distance) C4'-P energy: -51.714 bonds (distance) P-C4' energy: -51.381 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -38.296 tors. eta vs tors. theta energy: -61.054 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: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -771.005627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.005627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.005627 (E_RNA) where: Base-Base interactions energy: -513.783 where: short stacking energy: -225.234 Base-Backbone interact. energy: -1.537 local terms energy: -255.686112 where: bonds (distance) C4'-P energy: -53.260 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -57.835 flat angles P-C4'-P energy: -31.495 tors. eta vs tors. theta energy: -59.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -784.058146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.058146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.058146 (E_RNA) where: Base-Base interactions energy: -539.680 where: short stacking energy: -255.595 Base-Backbone interact. energy: -0.416 local terms energy: -243.961222 where: bonds (distance) C4'-P energy: -49.439 bonds (distance) P-C4' energy: -42.687 flat angles C4'-P-C4' energy: -55.786 flat angles P-C4'-P energy: -26.535 tors. eta vs tors. theta energy: -69.513 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: 5, replica: 7 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -665.644665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.644665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.644665 (E_RNA) where: Base-Base interactions energy: -415.098 where: short stacking energy: -202.650 Base-Backbone interact. energy: -3.140 local terms energy: -247.406773 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -45.296 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -53.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -664.200656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.200656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.200656 (E_RNA) where: Base-Base interactions energy: -424.757 where: short stacking energy: -199.806 Base-Backbone interact. energy: -1.248 local terms energy: -238.196238 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -45.962 flat angles P-C4'-P energy: -30.807 tors. eta vs tors. theta energy: -47.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -552.946927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.946927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.946927 (E_RNA) where: Base-Base interactions energy: -315.155 where: short stacking energy: -150.407 Base-Backbone interact. energy: 1.320 local terms energy: -239.112784 where: bonds (distance) C4'-P energy: -53.872 bonds (distance) P-C4' energy: -57.038 flat angles C4'-P-C4' energy: -49.610 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -35.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -447.859473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.859473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.859473 (E_RNA) where: Base-Base interactions energy: -241.146 where: short stacking energy: -133.230 Base-Backbone interact. energy: -1.813 local terms energy: -204.900428 where: bonds (distance) C4'-P energy: -34.901 bonds (distance) P-C4' energy: -52.672 flat angles C4'-P-C4' energy: -52.727 flat angles P-C4'-P energy: -35.278 tors. eta vs tors. theta energy: -29.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -418.210863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.210863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.210863 (E_RNA) where: Base-Base interactions energy: -241.649 where: short stacking energy: -121.843 Base-Backbone interact. energy: -1.066 local terms energy: -175.495994 where: bonds (distance) C4'-P energy: -43.830 bonds (distance) P-C4' energy: -53.227 flat angles C4'-P-C4' energy: -44.208 flat angles P-C4'-P energy: -18.826 tors. eta vs tors. theta energy: -15.405 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: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -245.686547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.686547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.686547 (E_RNA) where: Base-Base interactions energy: -88.360 where: short stacking energy: -75.686 Base-Backbone interact. energy: 0.900 local terms energy: -158.226839 where: bonds (distance) C4'-P energy: -46.319 bonds (distance) P-C4' energy: -50.563 flat angles C4'-P-C4' energy: -43.231 flat angles P-C4'-P energy: -20.888 tors. eta vs tors. theta energy: 2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -857.644871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.644871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.644871 (E_RNA) where: Base-Base interactions energy: -558.396 where: short stacking energy: -271.458 Base-Backbone interact. energy: -0.818 local terms energy: -298.431043 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -68.444 flat angles P-C4'-P energy: -40.283 tors. eta vs tors. theta energy: -70.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -790.690313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.690313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.690313 (E_RNA) where: Base-Base interactions energy: -520.815 where: short stacking energy: -247.216 Base-Backbone interact. energy: -2.848 local terms energy: -267.027835 where: bonds (distance) C4'-P energy: -49.956 bonds (distance) P-C4' energy: -50.937 flat angles C4'-P-C4' energy: -64.928 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -57.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -749.336494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.336494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.336494 (E_RNA) where: Base-Base interactions energy: -475.795 where: short stacking energy: -199.295 Base-Backbone interact. energy: 0.348 local terms energy: -273.889511 where: bonds (distance) C4'-P energy: -55.797 bonds (distance) P-C4' energy: -65.906 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -46.330 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: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -777.480714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.480714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.480714 (E_RNA) where: Base-Base interactions energy: -522.978 where: short stacking energy: -229.145 Base-Backbone interact. energy: -1.057 local terms energy: -253.445191 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -52.726 flat angles C4'-P-C4' energy: -52.380 flat angles P-C4'-P energy: -39.540 tors. eta vs tors. theta energy: -53.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -695.883352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.883352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.883352 (E_RNA) where: Base-Base interactions energy: -453.909 where: short stacking energy: -216.473 Base-Backbone interact. energy: -2.139 local terms energy: -239.834708 where: bonds (distance) C4'-P energy: -41.321 bonds (distance) P-C4' energy: -52.694 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -31.258 tors. eta vs tors. theta energy: -56.086 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: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -663.244602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.244602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.244602 (E_RNA) where: Base-Base interactions energy: -417.688 where: short stacking energy: -176.243 Base-Backbone interact. energy: -0.599 local terms energy: -244.957764 where: bonds (distance) C4'-P energy: -48.864 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -56.091 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: -44.542 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: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -551.066550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.066550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.066550 (E_RNA) where: Base-Base interactions energy: -319.526 where: short stacking energy: -169.994 Base-Backbone interact. energy: -0.600 local terms energy: -230.940255 where: bonds (distance) C4'-P energy: -51.295 bonds (distance) P-C4' energy: -54.538 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -29.314 tors. eta vs tors. theta energy: -36.908 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: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -522.195130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.195130 (E_RNA) where: Base-Base interactions energy: -316.390 where: short stacking energy: -154.171 Base-Backbone interact. energy: -0.560 local terms energy: -205.244890 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -46.819 flat angles C4'-P-C4' energy: -49.876 flat angles P-C4'-P energy: -29.792 tors. eta vs tors. theta energy: -25.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -406.035048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.035048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.035048 (E_RNA) where: Base-Base interactions energy: -214.713 where: short stacking energy: -118.431 Base-Backbone interact. energy: 1.551 local terms energy: -192.873492 where: bonds (distance) C4'-P energy: -50.288 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -38.734 flat angles P-C4'-P energy: -32.151 tors. eta vs tors. theta energy: -21.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -276.595654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.595654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.595654 (E_RNA) where: Base-Base interactions energy: -102.341 where: short stacking energy: -70.618 Base-Backbone interact. energy: -2.060 local terms energy: -172.194275 where: bonds (distance) C4'-P energy: -48.883 bonds (distance) P-C4' energy: -55.351 flat angles C4'-P-C4' energy: -43.845 flat angles P-C4'-P energy: -20.146 tors. eta vs tors. theta energy: -3.968 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: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -859.867255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.867255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.867255 (E_RNA) where: Base-Base interactions energy: -564.831 where: short stacking energy: -261.379 Base-Backbone interact. energy: -0.516 local terms energy: -294.519788 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -63.655 flat angles C4'-P-C4' energy: -67.146 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -68.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -771.055744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.055744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.055744 (E_RNA) where: Base-Base interactions energy: -504.203 where: short stacking energy: -227.076 Base-Backbone interact. energy: -2.032 local terms energy: -264.820761 where: bonds (distance) C4'-P energy: -54.265 bonds (distance) P-C4' energy: -54.602 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: -58.889 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: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -777.484104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.484104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.484104 (E_RNA) where: Base-Base interactions energy: -519.688 where: short stacking energy: -223.212 Base-Backbone interact. energy: -1.226 local terms energy: -256.570193 where: bonds (distance) C4'-P energy: -50.709 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -38.848 tors. eta vs tors. theta energy: -53.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -776.083808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.083808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.083808 (E_RNA) where: Base-Base interactions energy: -535.342 where: short stacking energy: -233.086 Base-Backbone interact. energy: 0.685 local terms energy: -241.426890 where: bonds (distance) C4'-P energy: -61.804 bonds (distance) P-C4' energy: -47.569 flat angles C4'-P-C4' energy: -47.377 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -48.087 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: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -697.995531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.995531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.995531 (E_RNA) where: Base-Base interactions energy: -447.398 where: short stacking energy: -196.104 Base-Backbone interact. energy: -0.167 local terms energy: -250.429899 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -39.494 tors. eta vs tors. theta energy: -41.663 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: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -632.943578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.943578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.943578 (E_RNA) where: Base-Base interactions energy: -400.757 where: short stacking energy: -206.233 Base-Backbone interact. energy: 0.234 local terms energy: -232.419892 where: bonds (distance) C4'-P energy: -52.159 bonds (distance) P-C4' energy: -48.319 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -30.895 tors. eta vs tors. theta energy: -45.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -510.432691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.432691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.432691 (E_RNA) where: Base-Base interactions energy: -292.213 where: short stacking energy: -144.816 Base-Backbone interact. energy: -1.693 local terms energy: -216.527051 where: bonds (distance) C4'-P energy: -43.546 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -52.696 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -26.231 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: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -475.360058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.360058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.360058 (E_RNA) where: Base-Base interactions energy: -306.170 where: short stacking energy: -141.072 Base-Backbone interact. energy: -1.313 local terms energy: -167.877777 where: bonds (distance) C4'-P energy: -37.675 bonds (distance) P-C4' energy: -47.072 flat angles C4'-P-C4' energy: -37.103 flat angles P-C4'-P energy: -25.058 tors. eta vs tors. theta energy: -20.971 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: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -411.937936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.937936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.937936 (E_RNA) where: Base-Base interactions energy: -237.039 where: short stacking energy: -110.889 Base-Backbone interact. energy: -2.376 local terms energy: -172.522757 where: bonds (distance) C4'-P energy: -44.169 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -52.196 flat angles P-C4'-P energy: -24.015 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -248.935093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.935093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.935093 (E_RNA) where: Base-Base interactions energy: -104.639 where: short stacking energy: -91.371 Base-Backbone interact. energy: 3.435 local terms energy: -147.730719 where: bonds (distance) C4'-P energy: -39.926 bonds (distance) P-C4' energy: -44.311 flat angles C4'-P-C4' energy: -39.670 flat angles P-C4'-P energy: -18.917 tors. eta vs tors. theta energy: -4.905 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: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -856.113281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.113281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.113281 (E_RNA) where: Base-Base interactions energy: -567.231 where: short stacking energy: -264.501 Base-Backbone interact. energy: -2.125 local terms energy: -286.757454 where: bonds (distance) C4'-P energy: -48.427 bonds (distance) P-C4' energy: -65.331 flat angles C4'-P-C4' energy: -68.687 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -60.423 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: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -800.984635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.984635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.984635 (E_RNA) where: Base-Base interactions energy: -529.692 where: short stacking energy: -255.733 Base-Backbone interact. energy: -1.623 local terms energy: -269.670175 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -32.040 tors. eta vs tors. theta energy: -64.872 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -766.615244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.615244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.615244 (E_RNA) where: Base-Base interactions energy: -497.265 where: short stacking energy: -239.696 Base-Backbone interact. energy: -0.362 local terms energy: -268.988389 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -52.259 flat angles C4'-P-C4' energy: -57.702 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -57.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -769.796252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.796252 (E_RNA) where: Base-Base interactions energy: -527.660 where: short stacking energy: -233.082 Base-Backbone interact. energy: -1.145 local terms energy: -240.990722 where: bonds (distance) C4'-P energy: -47.509 bonds (distance) P-C4' energy: -57.380 flat angles C4'-P-C4' energy: -47.073 flat angles P-C4'-P energy: -36.658 tors. eta vs tors. theta energy: -52.371 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: 22 Temperature: 1.100000 Total energy: -689.510061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.510061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.510061 (E_RNA) where: Base-Base interactions energy: -430.437 where: short stacking energy: -213.034 Base-Backbone interact. energy: 0.939 local terms energy: -260.011885 where: bonds (distance) C4'-P energy: -48.724 bonds (distance) P-C4' energy: -59.018 flat angles C4'-P-C4' energy: -65.118 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -49.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -617.661962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.661962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.661962 (E_RNA) where: Base-Base interactions energy: -383.438 where: short stacking energy: -176.852 Base-Backbone interact. energy: -1.638 local terms energy: -232.586807 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -52.246 flat angles C4'-P-C4' energy: -55.301 flat angles P-C4'-P energy: -31.562 tors. eta vs tors. theta energy: -41.519 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: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -586.668815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.668815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.668815 (E_RNA) where: Base-Base interactions energy: -373.217 where: short stacking energy: -170.759 Base-Backbone interact. energy: -0.677 local terms energy: -212.774259 where: bonds (distance) C4'-P energy: -45.782 bonds (distance) P-C4' energy: -51.095 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -26.157 tors. eta vs tors. theta energy: -34.733 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: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -492.668465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.668465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.668465 (E_RNA) where: Base-Base interactions energy: -293.591 where: short stacking energy: -146.675 Base-Backbone interact. energy: 1.858 local terms energy: -200.935323 where: bonds (distance) C4'-P energy: -47.378 bonds (distance) P-C4' energy: -49.934 flat angles C4'-P-C4' energy: -40.560 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -25.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -398.429359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.429359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.429359 (E_RNA) where: Base-Base interactions energy: -223.072 where: short stacking energy: -121.858 Base-Backbone interact. energy: -1.325 local terms energy: -174.031979 where: bonds (distance) C4'-P energy: -55.113 bonds (distance) P-C4' energy: -41.956 flat angles C4'-P-C4' energy: -43.179 flat angles P-C4'-P energy: -18.677 tors. eta vs tors. theta energy: -15.107 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: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -272.571680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.571680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.571680 (E_RNA) where: Base-Base interactions energy: -111.434 where: short stacking energy: -76.502 Base-Backbone interact. energy: -1.212 local terms energy: -159.926069 where: bonds (distance) C4'-P energy: -37.644 bonds (distance) P-C4' energy: -47.312 flat angles C4'-P-C4' energy: -35.787 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -2.244 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: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -871.974628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.974628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.974628 (E_RNA) where: Base-Base interactions energy: -586.618 where: short stacking energy: -255.097 Base-Backbone interact. energy: -1.568 local terms energy: -283.788864 where: bonds (distance) C4'-P energy: -61.650 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -60.894 flat angles P-C4'-P energy: -37.435 tors. eta vs tors. theta energy: -62.099 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: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -762.038593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.038593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.038593 (E_RNA) where: Base-Base interactions energy: -496.110 where: short stacking energy: -239.719 Base-Backbone interact. energy: -0.759 local terms energy: -265.169902 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -63.316 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -50.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -753.658525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.658525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.658525 (E_RNA) where: Base-Base interactions energy: -487.283 where: short stacking energy: -236.335 Base-Backbone interact. energy: -0.115 local terms energy: -266.260615 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -56.382 flat angles C4'-P-C4' energy: -66.141 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: -58.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -780.861801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.861801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.861801 (E_RNA) where: Base-Base interactions energy: -511.744 where: short stacking energy: -232.629 Base-Backbone interact. energy: -1.086 local terms energy: -268.031286 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -50.757 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -60.390 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: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -777.792892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.792892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.792892 (E_RNA) where: Base-Base interactions energy: -523.670 where: short stacking energy: -236.251 Base-Backbone interact. energy: -1.414 local terms energy: -252.709018 where: bonds (distance) C4'-P energy: -56.864 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -49.595 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -57.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -635.076343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.076343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.076343 (E_RNA) where: Base-Base interactions energy: -417.307 where: short stacking energy: -172.584 Base-Backbone interact. energy: -1.789 local terms energy: -215.979928 where: bonds (distance) C4'-P energy: -43.428 bonds (distance) P-C4' energy: -53.342 flat angles C4'-P-C4' energy: -48.591 flat angles P-C4'-P energy: -38.239 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: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -592.371626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.371626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.371626 (E_RNA) where: Base-Base interactions energy: -356.855 where: short stacking energy: -169.635 Base-Backbone interact. energy: -1.188 local terms energy: -234.328851 where: bonds (distance) C4'-P energy: -49.718 bonds (distance) P-C4' energy: -55.082 flat angles C4'-P-C4' energy: -52.874 flat angles P-C4'-P energy: -42.401 tors. eta vs tors. theta energy: -34.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -498.799064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.799064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.799064 (E_RNA) where: Base-Base interactions energy: -316.841 where: short stacking energy: -146.574 Base-Backbone interact. energy: -0.935 local terms energy: -181.023675 where: bonds (distance) C4'-P energy: -40.410 bonds (distance) P-C4' energy: -52.553 flat angles C4'-P-C4' energy: -49.017 flat angles P-C4'-P energy: -28.665 tors. eta vs tors. theta energy: -10.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -411.099427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.099427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.099427 (E_RNA) where: Base-Base interactions energy: -238.260 where: short stacking energy: -127.720 Base-Backbone interact. energy: -0.236 local terms energy: -172.602639 where: bonds (distance) C4'-P energy: -52.589 bonds (distance) P-C4' energy: -51.092 flat angles C4'-P-C4' energy: -40.664 flat angles P-C4'-P energy: -17.342 tors. eta vs tors. theta energy: -10.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -254.333546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.333546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.333546 (E_RNA) where: Base-Base interactions energy: -109.365 where: short stacking energy: -72.871 Base-Backbone interact. energy: 0.267 local terms energy: -145.235204 where: bonds (distance) C4'-P energy: -37.826 bonds (distance) P-C4' energy: -39.301 flat angles C4'-P-C4' energy: -43.127 flat angles P-C4'-P energy: -26.228 tors. eta vs tors. theta energy: 1.248 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: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -857.567438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.567438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.567438 (E_RNA) where: Base-Base interactions energy: -568.727 where: short stacking energy: -256.395 Base-Backbone interact. energy: -0.834 local terms energy: -288.005701 where: bonds (distance) C4'-P energy: -63.079 bonds (distance) P-C4' energy: -57.532 flat angles C4'-P-C4' energy: -63.441 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: -60.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -792.878115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.878115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.878115 (E_RNA) where: Base-Base interactions energy: -521.934 where: short stacking energy: -247.560 Base-Backbone interact. energy: -0.539 local terms energy: -270.404838 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -52.839 flat angles C4'-P-C4' energy: -57.884 flat angles P-C4'-P energy: -43.972 tors. eta vs tors. theta energy: -65.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -827.696702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.696702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.696702 (E_RNA) where: Base-Base interactions energy: -552.058 where: short stacking energy: -248.522 Base-Backbone interact. energy: -0.392 local terms energy: -275.246625 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -48.349 flat angles C4'-P-C4' energy: -59.740 flat angles P-C4'-P energy: -36.819 tors. eta vs tors. theta energy: -69.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -737.680858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.680858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.680858 (E_RNA) where: Base-Base interactions energy: -473.961 where: short stacking energy: -225.241 Base-Backbone interact. energy: 0.165 local terms energy: -263.884805 where: bonds (distance) C4'-P energy: -60.042 bonds (distance) P-C4' energy: -53.439 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -33.363 tors. eta vs tors. theta energy: -58.638 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: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -775.313508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.313508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.313508 (E_RNA) where: Base-Base interactions energy: -509.005 where: short stacking energy: -217.038 Base-Backbone interact. energy: 0.721 local terms energy: -267.029176 where: bonds (distance) C4'-P energy: -61.911 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -54.254 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -53.824 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: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -667.125787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.125787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.125787 (E_RNA) where: Base-Base interactions energy: -445.911 where: short stacking energy: -176.141 Base-Backbone interact. energy: -2.775 local terms energy: -218.439416 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -49.155 flat angles C4'-P-C4' energy: -46.995 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: -38.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -621.222940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.222940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.222940 (E_RNA) where: Base-Base interactions energy: -382.930 where: short stacking energy: -180.047 Base-Backbone interact. energy: -0.942 local terms energy: -237.351491 where: bonds (distance) C4'-P energy: -52.618 bonds (distance) P-C4' energy: -56.024 flat angles C4'-P-C4' energy: -58.581 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -31.307 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: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -534.685412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.685412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.685412 (E_RNA) where: Base-Base interactions energy: -308.207 where: short stacking energy: -150.404 Base-Backbone interact. energy: -0.623 local terms energy: -225.855553 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -55.434 flat angles C4'-P-C4' energy: -46.833 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -28.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -407.157122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.157122 (E_RNA) where: Base-Base interactions energy: -226.962 where: short stacking energy: -116.733 Base-Backbone interact. energy: 0.363 local terms energy: -180.557781 where: bonds (distance) C4'-P energy: -39.803 bonds (distance) P-C4' energy: -49.205 flat angles C4'-P-C4' energy: -55.271 flat angles P-C4'-P energy: -20.069 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -274.617681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.617681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.617681 (E_RNA) where: Base-Base interactions energy: -100.589 where: short stacking energy: -90.229 Base-Backbone interact. energy: 3.957 local terms energy: -177.985971 where: bonds (distance) C4'-P energy: -48.633 bonds (distance) P-C4' energy: -53.427 flat angles C4'-P-C4' energy: -49.492 flat angles P-C4'-P energy: -19.345 tors. eta vs tors. theta energy: -7.090 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: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -855.055009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.055009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.055009 (E_RNA) where: Base-Base interactions energy: -568.477 where: short stacking energy: -252.472 Base-Backbone interact. energy: -0.476 local terms energy: -286.101443 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -58.864 flat angles C4'-P-C4' energy: -71.404 flat angles P-C4'-P energy: -32.419 tors. eta vs tors. theta energy: -59.229 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: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -873.888220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.888220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.888220 (E_RNA) where: Base-Base interactions energy: -585.728 where: short stacking energy: -256.008 Base-Backbone interact. energy: 0.153 local terms energy: -288.313403 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -59.287 flat angles C4'-P-C4' energy: -54.506 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -80.625 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -766.664905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.664905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.664905 (E_RNA) where: Base-Base interactions energy: -516.743 where: short stacking energy: -203.361 Base-Backbone interact. energy: -2.271 local terms energy: -247.650147 where: bonds (distance) C4'-P energy: -48.406 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -65.267 flat angles P-C4'-P energy: -27.777 tors. eta vs tors. theta energy: -50.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -858.728833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.728833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.728833 (E_RNA) where: Base-Base interactions energy: -579.234 where: short stacking energy: -249.744 Base-Backbone interact. energy: -2.703 local terms energy: -276.791970 where: bonds (distance) C4'-P energy: -59.242 bonds (distance) P-C4' energy: -60.208 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -23.664 tors. eta vs tors. theta energy: -66.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -701.914789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.914789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.914789 (E_RNA) where: Base-Base interactions energy: -469.699 where: short stacking energy: -224.200 Base-Backbone interact. energy: -3.177 local terms energy: -229.039553 where: bonds (distance) C4'-P energy: -44.968 bonds (distance) P-C4' energy: -47.047 flat angles C4'-P-C4' energy: -52.742 flat angles P-C4'-P energy: -31.694 tors. eta vs tors. theta energy: -52.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -624.885053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.885053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.885053 (E_RNA) where: Base-Base interactions energy: -403.908 where: short stacking energy: -176.302 Base-Backbone interact. energy: -1.564 local terms energy: -219.413718 where: bonds (distance) C4'-P energy: -49.616 bonds (distance) P-C4' energy: -55.730 flat angles C4'-P-C4' energy: -49.743 flat angles P-C4'-P energy: -24.852 tors. eta vs tors. theta energy: -39.473 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -632.444577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.444577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.444577 (E_RNA) where: Base-Base interactions energy: -381.013 where: short stacking energy: -199.823 Base-Backbone interact. energy: -2.529 local terms energy: -248.902459 where: bonds (distance) C4'-P energy: -49.124 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -59.708 flat angles P-C4'-P energy: -33.346 tors. eta vs tors. theta energy: -47.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -502.149974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.149974 (E_RNA) where: Base-Base interactions energy: -302.083 where: short stacking energy: -142.226 Base-Backbone interact. energy: -0.178 local terms energy: -199.888843 where: bonds (distance) C4'-P energy: -45.895 bonds (distance) P-C4' energy: -57.898 flat angles C4'-P-C4' energy: -45.283 flat angles P-C4'-P energy: -31.229 tors. eta vs tors. theta energy: -19.584 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: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -410.128137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.128137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.128137 (E_RNA) where: Base-Base interactions energy: -233.553 where: short stacking energy: -108.220 Base-Backbone interact. energy: -0.592 local terms energy: -175.982970 where: bonds (distance) C4'-P energy: -53.249 bonds (distance) P-C4' energy: -48.553 flat angles C4'-P-C4' energy: -48.137 flat angles P-C4'-P energy: -18.783 tors. eta vs tors. theta energy: -7.261 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -246.242212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.242212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.242212 (E_RNA) where: Base-Base interactions energy: -86.794 where: short stacking energy: -68.649 Base-Backbone interact. energy: -2.111 local terms energy: -157.337564 where: bonds (distance) C4'-P energy: -51.434 bonds (distance) P-C4' energy: -50.828 flat angles C4'-P-C4' energy: -36.160 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: 3.591 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: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -853.749143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.749143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.749143 (E_RNA) where: Base-Base interactions energy: -562.179 where: short stacking energy: -264.367 Base-Backbone interact. energy: -0.696 local terms energy: -290.875018 where: bonds (distance) C4'-P energy: -63.974 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -68.365 flat angles P-C4'-P energy: -35.798 tors. eta vs tors. theta energy: -63.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -872.982213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.982213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.982213 (E_RNA) where: Base-Base interactions energy: -574.674 where: short stacking energy: -272.632 Base-Backbone interact. energy: -1.750 local terms energy: -296.559148 where: bonds (distance) C4'-P energy: -57.309 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -33.691 tors. eta vs tors. theta energy: -78.397 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: 26 Temperature: 1.000000 Total energy: -894.360185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.360185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.360185 (E_RNA) where: Base-Base interactions energy: -617.114 where: short stacking energy: -265.684 Base-Backbone interact. energy: -1.235 local terms energy: -276.011005 where: bonds (distance) C4'-P energy: -54.689 bonds (distance) P-C4' energy: -49.886 flat angles C4'-P-C4' energy: -57.711 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -74.073 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: 26 Temperature: 1.050000 Total energy: -747.917175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.917175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.917175 (E_RNA) where: Base-Base interactions energy: -503.101 where: short stacking energy: -228.792 Base-Backbone interact. energy: -2.146 local terms energy: -242.669998 where: bonds (distance) C4'-P energy: -44.094 bonds (distance) P-C4' energy: -56.435 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -27.839 tors. eta vs tors. theta energy: -52.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -699.817609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.817609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.817609 (E_RNA) where: Base-Base interactions energy: -445.558 where: short stacking energy: -212.692 Base-Backbone interact. energy: -0.340 local terms energy: -253.919451 where: bonds (distance) C4'-P energy: -47.617 bonds (distance) P-C4' energy: -61.764 flat angles C4'-P-C4' energy: -50.725 flat angles P-C4'-P energy: -38.010 tors. eta vs tors. theta energy: -55.803 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: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -625.873372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.873372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.873372 (E_RNA) where: Base-Base interactions energy: -380.165 where: short stacking energy: -184.267 Base-Backbone interact. energy: -0.430 local terms energy: -245.278902 where: bonds (distance) C4'-P energy: -51.014 bonds (distance) P-C4' energy: -58.468 flat angles C4'-P-C4' energy: -56.688 flat angles P-C4'-P energy: -37.003 tors. eta vs tors. theta energy: -42.106 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: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -604.542616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.542616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.542616 (E_RNA) where: Base-Base interactions energy: -373.580 where: short stacking energy: -181.314 Base-Backbone interact. energy: 1.250 local terms energy: -232.211740 where: bonds (distance) C4'-P energy: -50.776 bonds (distance) P-C4' energy: -56.585 flat angles C4'-P-C4' energy: -49.646 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -38.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -508.338044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.338044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.338044 (E_RNA) where: Base-Base interactions energy: -292.389 where: short stacking energy: -165.031 Base-Backbone interact. energy: -0.138 local terms energy: -215.810966 where: bonds (distance) C4'-P energy: -51.550 bonds (distance) P-C4' energy: -52.284 flat angles C4'-P-C4' energy: -50.572 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: -29.310 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: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -430.908564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.908564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.908564 (E_RNA) where: Base-Base interactions energy: -259.642 where: short stacking energy: -115.523 Base-Backbone interact. energy: 0.121 local terms energy: -171.387030 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -45.896 flat angles C4'-P-C4' energy: -35.280 flat angles P-C4'-P energy: -28.525 tors. eta vs tors. theta energy: -8.741 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: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -245.536623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.536623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.536623 (E_RNA) where: Base-Base interactions energy: -94.725 where: short stacking energy: -94.210 Base-Backbone interact. energy: 7.361 local terms energy: -158.173283 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -55.281 flat angles C4'-P-C4' energy: -39.294 flat angles P-C4'-P energy: -23.979 tors. eta vs tors. theta energy: 12.654 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: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -841.227607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.227607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.227607 (E_RNA) where: Base-Base interactions energy: -573.601 where: short stacking energy: -268.317 Base-Backbone interact. energy: -0.438 local terms energy: -267.188832 where: bonds (distance) C4'-P energy: -55.745 bonds (distance) P-C4' energy: -50.790 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -27.483 tors. eta vs tors. theta energy: -66.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -932.563675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.563675 (E_RNA) where: Base-Base interactions energy: -650.516 where: short stacking energy: -275.907 Base-Backbone interact. energy: -0.390 local terms energy: -281.658660 where: bonds (distance) C4'-P energy: -56.179 bonds (distance) P-C4' energy: -56.477 flat angles C4'-P-C4' energy: -55.400 flat angles P-C4'-P energy: -36.075 tors. eta vs tors. theta energy: -77.528 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: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -846.919057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.919057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.919057 (E_RNA) where: Base-Base interactions energy: -566.399 where: short stacking energy: -243.472 Base-Backbone interact. energy: 3.081 local terms energy: -283.600967 where: bonds (distance) C4'-P energy: -55.338 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -56.946 flat angles P-C4'-P energy: -38.276 tors. eta vs tors. theta energy: -75.192 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: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -712.967012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.967012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.967012 (E_RNA) where: Base-Base interactions energy: -458.946 where: short stacking energy: -217.886 Base-Backbone interact. energy: -1.230 local terms energy: -252.790633 where: bonds (distance) C4'-P energy: -46.595 bonds (distance) P-C4' energy: -60.827 flat angles C4'-P-C4' energy: -54.859 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -53.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -723.339682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.339682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.339682 (E_RNA) where: Base-Base interactions energy: -482.168 where: short stacking energy: -205.093 Base-Backbone interact. energy: -3.023 local terms energy: -238.149257 where: bonds (distance) C4'-P energy: -41.792 bonds (distance) P-C4' energy: -52.607 flat angles C4'-P-C4' energy: -54.086 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -57.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -650.213710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.213710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.213710 (E_RNA) where: Base-Base interactions energy: -420.714 where: short stacking energy: -198.438 Base-Backbone interact. energy: -1.431 local terms energy: -228.068557 where: bonds (distance) C4'-P energy: -52.616 bonds (distance) P-C4' energy: -47.835 flat angles C4'-P-C4' energy: -51.552 flat angles P-C4'-P energy: -35.792 tors. eta vs tors. theta energy: -40.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -592.901010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.901010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.901010 (E_RNA) where: Base-Base interactions energy: -388.303 where: short stacking energy: -187.172 Base-Backbone interact. energy: 1.064 local terms energy: -205.661650 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -46.320 flat angles P-C4'-P energy: -28.748 tors. eta vs tors. theta energy: -19.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -449.691727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.691727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.691727 (E_RNA) where: Base-Base interactions energy: -257.693 where: short stacking energy: -138.795 Base-Backbone interact. energy: -1.118 local terms energy: -190.880906 where: bonds (distance) C4'-P energy: -51.006 bonds (distance) P-C4' energy: -48.976 flat angles C4'-P-C4' energy: -49.199 flat angles P-C4'-P energy: -20.873 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -424.056733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.056733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.056733 (E_RNA) where: Base-Base interactions energy: -242.203 where: short stacking energy: -110.258 Base-Backbone interact. energy: -3.150 local terms energy: -178.703386 where: bonds (distance) C4'-P energy: -45.690 bonds (distance) P-C4' energy: -53.140 flat angles C4'-P-C4' energy: -39.579 flat angles P-C4'-P energy: -38.652 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -231.887508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.887508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.887508 (E_RNA) where: Base-Base interactions energy: -75.331 where: short stacking energy: -75.230 Base-Backbone interact. energy: 1.232 local terms energy: -157.789092 where: bonds (distance) C4'-P energy: -40.112 bonds (distance) P-C4' energy: -50.922 flat angles C4'-P-C4' energy: -44.161 flat angles P-C4'-P energy: -29.067 tors. eta vs tors. theta energy: 6.474 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -956.450611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.450611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.450611 (E_RNA) where: Base-Base interactions energy: -664.890 where: short stacking energy: -293.121 Base-Backbone interact. energy: -1.572 local terms energy: -289.988370 where: bonds (distance) C4'-P energy: -65.492 bonds (distance) P-C4' energy: -50.360 flat angles C4'-P-C4' energy: -55.544 flat angles P-C4'-P energy: -43.014 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: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -825.168785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.168785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.168785 (E_RNA) where: Base-Base interactions energy: -540.718 where: short stacking energy: -242.040 Base-Backbone interact. energy: -1.660 local terms energy: -282.790989 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -63.488 flat angles C4'-P-C4' energy: -61.715 flat angles P-C4'-P energy: -38.091 tors. eta vs tors. theta energy: -55.264 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: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -857.980240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.980240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.980240 (E_RNA) where: Base-Base interactions energy: -590.422 where: short stacking energy: -257.730 Base-Backbone interact. energy: -0.675 local terms energy: -266.883426 where: bonds (distance) C4'-P energy: -53.651 bonds (distance) P-C4' energy: -52.610 flat angles C4'-P-C4' energy: -54.294 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -67.098 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: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -688.594117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.594117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.594117 (E_RNA) where: Base-Base interactions energy: -419.287 where: short stacking energy: -193.953 Base-Backbone interact. energy: -0.895 local terms energy: -268.412879 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -43.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -720.908303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.908303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.908303 (E_RNA) where: Base-Base interactions energy: -466.808 where: short stacking energy: -220.595 Base-Backbone interact. energy: 1.358 local terms energy: -255.459031 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -52.729 flat angles C4'-P-C4' energy: -55.625 flat angles P-C4'-P energy: -27.383 tors. eta vs tors. theta energy: -61.923 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: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -645.077161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.077161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.077161 (E_RNA) where: Base-Base interactions energy: -422.425 where: short stacking energy: -197.467 Base-Backbone interact. energy: -2.440 local terms energy: -220.211920 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -42.184 flat angles C4'-P-C4' energy: -59.615 flat angles P-C4'-P energy: -27.982 tors. eta vs tors. theta energy: -41.176 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: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -599.501019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.501019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.501019 (E_RNA) where: Base-Base interactions energy: -366.264 where: short stacking energy: -182.322 Base-Backbone interact. energy: -1.330 local terms energy: -231.906867 where: bonds (distance) C4'-P energy: -40.480 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -30.248 tors. eta vs tors. theta energy: -41.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -481.722843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.722843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.722843 (E_RNA) where: Base-Base interactions energy: -281.732 where: short stacking energy: -161.888 Base-Backbone interact. energy: -1.567 local terms energy: -198.423531 where: bonds (distance) C4'-P energy: -54.103 bonds (distance) P-C4' energy: -44.933 flat angles C4'-P-C4' energy: -43.492 flat angles P-C4'-P energy: -24.988 tors. eta vs tors. theta energy: -30.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -384.374146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.374146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.374146 (E_RNA) where: Base-Base interactions energy: -212.947 where: short stacking energy: -118.178 Base-Backbone interact. energy: -0.919 local terms energy: -170.508402 where: bonds (distance) C4'-P energy: -47.389 bonds (distance) P-C4' energy: -42.964 flat angles C4'-P-C4' energy: -40.953 flat angles P-C4'-P energy: -33.200 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -271.987364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.987364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.987364 (E_RNA) where: Base-Base interactions energy: -112.371 where: short stacking energy: -90.434 Base-Backbone interact. energy: -1.174 local terms energy: -158.442387 where: bonds (distance) C4'-P energy: -39.676 bonds (distance) P-C4' energy: -58.011 flat angles C4'-P-C4' energy: -39.740 flat angles P-C4'-P energy: -22.473 tors. eta vs tors. theta energy: 1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -983.728435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.728435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.728435 (E_RNA) where: Base-Base interactions energy: -679.260 where: short stacking energy: -290.224 Base-Backbone interact. energy: -1.459 local terms energy: -303.010038 where: bonds (distance) C4'-P energy: -56.665 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -62.047 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -76.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -872.173999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.173999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.173999 (E_RNA) where: Base-Base interactions energy: -584.011 where: short stacking energy: -253.912 Base-Backbone interact. energy: -0.791 local terms energy: -287.371398 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -57.028 flat angles P-C4'-P energy: -37.867 tors. eta vs tors. theta energy: -67.809 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: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -805.888964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.888964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.888964 (E_RNA) where: Base-Base interactions energy: -536.438 where: short stacking energy: -248.583 Base-Backbone interact. energy: 0.085 local terms energy: -269.536545 where: bonds (distance) C4'-P energy: -49.285 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -61.086 flat angles P-C4'-P energy: -37.763 tors. eta vs tors. theta energy: -56.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -783.635130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.635130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.635130 (E_RNA) where: Base-Base interactions energy: -517.565 where: short stacking energy: -239.821 Base-Backbone interact. energy: 2.662 local terms energy: -268.731265 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -58.292 flat angles C4'-P-C4' energy: -59.138 flat angles P-C4'-P energy: -33.956 tors. eta vs tors. theta energy: -63.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -708.475147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.475147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.475147 (E_RNA) where: Base-Base interactions energy: -467.224 where: short stacking energy: -218.609 Base-Backbone interact. energy: 3.595 local terms energy: -244.845723 where: bonds (distance) C4'-P energy: -50.473 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -59.798 flat angles P-C4'-P energy: -30.184 tors. eta vs tors. theta energy: -49.630 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: 29 Temperature: 1.150000 Total energy: -604.730506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.730506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.730506 (E_RNA) where: Base-Base interactions energy: -400.589 where: short stacking energy: -188.543 Base-Backbone interact. energy: -0.671 local terms energy: -203.470566 where: bonds (distance) C4'-P energy: -26.851 bonds (distance) P-C4' energy: -49.794 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -35.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -605.227401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.227401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.227401 (E_RNA) where: Base-Base interactions energy: -392.727 where: short stacking energy: -163.994 Base-Backbone interact. energy: 1.067 local terms energy: -213.567394 where: bonds (distance) C4'-P energy: -52.790 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -46.723 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -15.530 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: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -495.750691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.750691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.750691 (E_RNA) where: Base-Base interactions energy: -298.679 where: short stacking energy: -171.027 Base-Backbone interact. energy: -1.778 local terms energy: -195.293829 where: bonds (distance) C4'-P energy: -51.868 bonds (distance) P-C4' energy: -46.839 flat angles C4'-P-C4' energy: -42.404 flat angles P-C4'-P energy: -19.218 tors. eta vs tors. theta energy: -34.965 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: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -390.676753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.676753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.676753 (E_RNA) where: Base-Base interactions energy: -211.749 where: short stacking energy: -109.099 Base-Backbone interact. energy: -2.351 local terms energy: -176.577141 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -47.858 flat angles C4'-P-C4' energy: -50.234 flat angles P-C4'-P energy: -18.604 tors. eta vs tors. theta energy: -6.180 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: 29 Temperature: 1.350000 Total energy: -282.287420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.287420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.287420 (E_RNA) where: Base-Base interactions energy: -105.244 where: short stacking energy: -88.761 Base-Backbone interact. energy: 1.530 local terms energy: -178.573384 where: bonds (distance) C4'-P energy: -48.205 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -41.233 flat angles P-C4'-P energy: -29.358 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -966.084000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.084000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.084000 (E_RNA) where: Base-Base interactions energy: -658.484 where: short stacking energy: -268.549 Base-Backbone interact. energy: -0.816 local terms energy: -306.783787 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -77.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -885.968282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.968282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.968282 (E_RNA) where: Base-Base interactions energy: -604.049 where: short stacking energy: -256.944 Base-Backbone interact. energy: -0.465 local terms energy: -281.453910 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -61.460 flat angles P-C4'-P energy: -37.460 tors. eta vs tors. theta energy: -63.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -790.524553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.524553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.524553 (E_RNA) where: Base-Base interactions energy: -530.726 where: short stacking energy: -231.886 Base-Backbone interact. energy: 2.642 local terms energy: -262.440966 where: bonds (distance) C4'-P energy: -55.251 bonds (distance) P-C4' energy: -55.798 flat angles C4'-P-C4' energy: -52.295 flat angles P-C4'-P energy: -42.148 tors. eta vs tors. theta energy: -56.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -802.581231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.581231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.581231 (E_RNA) where: Base-Base interactions energy: -534.274 where: short stacking energy: -250.638 Base-Backbone interact. energy: -1.001 local terms energy: -267.305966 where: bonds (distance) C4'-P energy: -51.183 bonds (distance) P-C4' energy: -52.963 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: -63.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -663.154692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.154692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.154692 (E_RNA) where: Base-Base interactions energy: -439.745 where: short stacking energy: -188.125 Base-Backbone interact. energy: -0.534 local terms energy: -222.875499 where: bonds (distance) C4'-P energy: -53.416 bonds (distance) P-C4' energy: -54.635 flat angles C4'-P-C4' energy: -45.862 flat angles P-C4'-P energy: -32.183 tors. eta vs tors. theta energy: -36.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -651.156487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.156487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.156487 (E_RNA) where: Base-Base interactions energy: -416.500 where: short stacking energy: -180.085 Base-Backbone interact. energy: -1.489 local terms energy: -233.168405 where: bonds (distance) C4'-P energy: -46.744 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -50.316 flat angles P-C4'-P energy: -29.547 tors. eta vs tors. theta energy: -47.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -609.525567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.525567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.525567 (E_RNA) where: Base-Base interactions energy: -398.162 where: short stacking energy: -173.139 Base-Backbone interact. energy: 0.332 local terms energy: -211.696089 where: bonds (distance) C4'-P energy: -46.221 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -47.968 flat angles P-C4'-P energy: -32.783 tors. eta vs tors. theta energy: -31.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -432.600266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.600266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.600266 (E_RNA) where: Base-Base interactions energy: -252.225 where: short stacking energy: -138.455 Base-Backbone interact. energy: -0.100 local terms energy: -180.275402 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -54.201 flat angles C4'-P-C4' energy: -39.866 flat angles P-C4'-P energy: -18.520 tors. eta vs tors. theta energy: -16.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -414.083163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.083163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.083163 (E_RNA) where: Base-Base interactions energy: -244.429 where: short stacking energy: -138.590 Base-Backbone interact. energy: -1.305 local terms energy: -168.349308 where: bonds (distance) C4'-P energy: -38.066 bonds (distance) P-C4' energy: -31.594 flat angles C4'-P-C4' energy: -41.343 flat angles P-C4'-P energy: -34.019 tors. eta vs tors. theta energy: -23.327 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: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -252.407489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.407489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.407489 (E_RNA) where: Base-Base interactions energy: -103.302 where: short stacking energy: -84.266 Base-Backbone interact. energy: 2.145 local terms energy: -151.250087 where: bonds (distance) C4'-P energy: -43.004 bonds (distance) P-C4' energy: -48.599 flat angles C4'-P-C4' energy: -30.022 flat angles P-C4'-P energy: -29.215 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -972.204407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.204407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.204407 (E_RNA) where: Base-Base interactions energy: -676.684 where: short stacking energy: -277.006 Base-Backbone interact. energy: -1.732 local terms energy: -293.788005 where: bonds (distance) C4'-P energy: -58.151 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -63.856 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -73.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -909.678084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.678084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.678084 (E_RNA) where: Base-Base interactions energy: -620.980 where: short stacking energy: -271.865 Base-Backbone interact. energy: -0.364 local terms energy: -288.333745 where: bonds (distance) C4'-P energy: -51.712 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -70.747 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: 10 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -813.124156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.124156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.124156 (E_RNA) where: Base-Base interactions energy: -524.808 where: short stacking energy: -253.860 Base-Backbone interact. energy: -0.036 local terms energy: -288.280049 where: bonds (distance) C4'-P energy: -57.268 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -38.580 tors. eta vs tors. theta energy: -63.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -827.631131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.631131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.631131 (E_RNA) where: Base-Base interactions energy: -549.320 where: short stacking energy: -252.425 Base-Backbone interact. energy: -2.061 local terms energy: -276.250536 where: bonds (distance) C4'-P energy: -63.848 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -57.617 flat angles P-C4'-P energy: -40.645 tors. eta vs tors. theta energy: -61.727 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: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -700.235196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.235196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.235196 (E_RNA) where: Base-Base interactions energy: -450.814 where: short stacking energy: -199.372 Base-Backbone interact. energy: -1.113 local terms energy: -248.308643 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -57.112 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -44.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -620.683060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.683060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.683060 (E_RNA) where: Base-Base interactions energy: -410.819 where: short stacking energy: -174.490 Base-Backbone interact. energy: -1.615 local terms energy: -208.249407 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -51.447 flat angles C4'-P-C4' energy: -48.226 flat angles P-C4'-P energy: -29.355 tors. eta vs tors. theta energy: -24.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -642.785206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.785206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.785206 (E_RNA) where: Base-Base interactions energy: -411.928 where: short stacking energy: -186.484 Base-Backbone interact. energy: -2.367 local terms energy: -228.490518 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -46.306 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -33.756 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -480.225603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.225603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.225603 (E_RNA) where: Base-Base interactions energy: -268.847 where: short stacking energy: -160.978 Base-Backbone interact. energy: 2.946 local terms energy: -214.324635 where: bonds (distance) C4'-P energy: -52.885 bonds (distance) P-C4' energy: -43.976 flat angles C4'-P-C4' energy: -50.151 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -31.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -447.863844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.863844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.863844 (E_RNA) where: Base-Base interactions energy: -267.243 where: short stacking energy: -142.780 Base-Backbone interact. energy: 1.623 local terms energy: -182.244179 where: bonds (distance) C4'-P energy: -45.808 bonds (distance) P-C4' energy: -47.479 flat angles C4'-P-C4' energy: -54.141 flat angles P-C4'-P energy: -19.762 tors. eta vs tors. theta energy: -15.054 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: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -279.910964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.910964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.910964 (E_RNA) where: Base-Base interactions energy: -113.196 where: short stacking energy: -96.807 Base-Backbone interact. energy: 1.431 local terms energy: -168.146062 where: bonds (distance) C4'-P energy: -53.280 bonds (distance) P-C4' energy: -49.480 flat angles C4'-P-C4' energy: -49.791 flat angles P-C4'-P energy: -14.186 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -980.871294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.871294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.871294 (E_RNA) where: Base-Base interactions energy: -678.318 where: short stacking energy: -283.157 Base-Backbone interact. energy: -0.757 local terms energy: -301.795470 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -64.006 flat angles C4'-P-C4' energy: -62.837 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -71.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -893.217674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.217674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.217674 (E_RNA) where: Base-Base interactions energy: -608.700 where: short stacking energy: -254.474 Base-Backbone interact. energy: -1.014 local terms energy: -283.503914 where: bonds (distance) C4'-P energy: -46.129 bonds (distance) P-C4' energy: -68.992 flat angles C4'-P-C4' energy: -58.064 flat angles P-C4'-P energy: -41.274 tors. eta vs tors. theta energy: -69.045 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -843.183140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.183140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.183140 (E_RNA) where: Base-Base interactions energy: -544.751 where: short stacking energy: -258.469 Base-Backbone interact. energy: -1.392 local terms energy: -297.040083 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -61.402 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -43.495 tors. eta vs tors. theta energy: -72.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -770.947278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.947278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.947278 (E_RNA) where: Base-Base interactions energy: -514.723 where: short stacking energy: -229.190 Base-Backbone interact. energy: -0.445 local terms energy: -255.779315 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -57.147 flat angles P-C4'-P energy: -33.496 tors. eta vs tors. theta energy: -56.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -708.090462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.090462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.090462 (E_RNA) where: Base-Base interactions energy: -463.456 where: short stacking energy: -236.136 Base-Backbone interact. energy: 0.677 local terms energy: -245.311312 where: bonds (distance) C4'-P energy: -48.218 bonds (distance) P-C4' energy: -46.189 flat angles C4'-P-C4' energy: -61.891 flat angles P-C4'-P energy: -31.711 tors. eta vs tors. theta energy: -57.302 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: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -687.927307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.927307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.927307 (E_RNA) where: Base-Base interactions energy: -450.699 where: short stacking energy: -191.359 Base-Backbone interact. energy: -3.078 local terms energy: -234.149994 where: bonds (distance) C4'-P energy: -60.559 bonds (distance) P-C4' energy: -51.635 flat angles C4'-P-C4' energy: -48.828 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -41.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -620.839740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.839740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.839740 (E_RNA) where: Base-Base interactions energy: -410.794 where: short stacking energy: -190.257 Base-Backbone interact. energy: 1.153 local terms energy: -211.198494 where: bonds (distance) C4'-P energy: -51.171 bonds (distance) P-C4' energy: -54.177 flat angles C4'-P-C4' energy: -51.408 flat angles P-C4'-P energy: -27.181 tors. eta vs tors. theta energy: -27.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -441.710589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.710589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.710589 (E_RNA) where: Base-Base interactions energy: -243.769 where: short stacking energy: -128.869 Base-Backbone interact. energy: -1.259 local terms energy: -196.682641 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -49.225 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -27.918 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -452.236209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.236209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.236209 (E_RNA) where: Base-Base interactions energy: -280.959 where: short stacking energy: -143.065 Base-Backbone interact. energy: -1.300 local terms energy: -169.977116 where: bonds (distance) C4'-P energy: -33.443 bonds (distance) P-C4' energy: -37.156 flat angles C4'-P-C4' energy: -46.287 flat angles P-C4'-P energy: -31.131 tors. eta vs tors. theta energy: -21.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -248.565727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.565727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.565727 (E_RNA) where: Base-Base interactions energy: -108.287 where: short stacking energy: -83.414 Base-Backbone interact. energy: -1.454 local terms energy: -138.824543 where: bonds (distance) C4'-P energy: -48.409 bonds (distance) P-C4' energy: -38.002 flat angles C4'-P-C4' energy: -32.546 flat angles P-C4'-P energy: -16.519 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -985.515972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.515972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.515972 (E_RNA) where: Base-Base interactions energy: -693.275 where: short stacking energy: -296.736 Base-Backbone interact. energy: 0.567 local terms energy: -292.807975 where: bonds (distance) C4'-P energy: -54.416 bonds (distance) P-C4' energy: -55.362 flat angles C4'-P-C4' energy: -62.632 flat angles P-C4'-P energy: -41.512 tors. eta vs tors. theta energy: -78.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -933.583012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.583012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.583012 (E_RNA) where: Base-Base interactions energy: -637.905 where: short stacking energy: -276.262 Base-Backbone interact. energy: 0.239 local terms energy: -295.917080 where: bonds (distance) C4'-P energy: -57.271 bonds (distance) P-C4' energy: -55.546 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -72.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -825.940287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.940287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.940287 (E_RNA) where: Base-Base interactions energy: -546.031 where: short stacking energy: -261.137 Base-Backbone interact. energy: -0.867 local terms energy: -279.041999 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -50.753 flat angles C4'-P-C4' energy: -55.760 flat angles P-C4'-P energy: -41.490 tors. eta vs tors. theta energy: -76.153 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: 4, replica: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -765.723774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.723774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.723774 (E_RNA) where: Base-Base interactions energy: -522.735 where: short stacking energy: -239.089 Base-Backbone interact. energy: -0.584 local terms energy: -242.404135 where: bonds (distance) C4'-P energy: -36.886 bonds (distance) P-C4' energy: -50.000 flat angles C4'-P-C4' energy: -57.414 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -59.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -701.264071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.264071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.264071 (E_RNA) where: Base-Base interactions energy: -441.446 where: short stacking energy: -212.236 Base-Backbone interact. energy: 1.353 local terms energy: -261.171285 where: bonds (distance) C4'-P energy: -52.880 bonds (distance) P-C4' energy: -62.138 flat angles C4'-P-C4' energy: -53.478 flat angles P-C4'-P energy: -39.484 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: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -705.900309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.900309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.900309 (E_RNA) where: Base-Base interactions energy: -484.998 where: short stacking energy: -224.601 Base-Backbone interact. energy: -0.618 local terms energy: -220.284029 where: bonds (distance) C4'-P energy: -35.194 bonds (distance) P-C4' energy: -45.244 flat angles C4'-P-C4' energy: -57.534 flat angles P-C4'-P energy: -29.113 tors. eta vs tors. theta energy: -53.199 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -594.229363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.229363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.229363 (E_RNA) where: Base-Base interactions energy: -380.677 where: short stacking energy: -162.638 Base-Backbone interact. energy: 0.234 local terms energy: -213.786761 where: bonds (distance) C4'-P energy: -47.610 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -51.752 flat angles P-C4'-P energy: -29.875 tors. eta vs tors. theta energy: -26.520 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: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -417.666146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.666146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.666146 (E_RNA) where: Base-Base interactions energy: -220.414 where: short stacking energy: -125.988 Base-Backbone interact. energy: -1.609 local terms energy: -195.643339 where: bonds (distance) C4'-P energy: -45.135 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -36.930 flat angles P-C4'-P energy: -34.342 tors. eta vs tors. theta energy: -24.504 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: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -395.167203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.167203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.167203 (E_RNA) where: Base-Base interactions energy: -204.947 where: short stacking energy: -116.242 Base-Backbone interact. energy: -1.614 local terms energy: -188.605868 where: bonds (distance) C4'-P energy: -37.030 bonds (distance) P-C4' energy: -55.471 flat angles C4'-P-C4' energy: -53.435 flat angles P-C4'-P energy: -32.332 tors. eta vs tors. theta energy: -10.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -318.647726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.647726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.647726 (E_RNA) where: Base-Base interactions energy: -172.540 where: short stacking energy: -85.406 Base-Backbone interact. energy: -1.347 local terms energy: -144.760735 where: bonds (distance) C4'-P energy: -54.306 bonds (distance) P-C4' energy: -45.628 flat angles C4'-P-C4' energy: -24.006 flat angles P-C4'-P energy: -17.039 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -972.490371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.490371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.490371 (E_RNA) where: Base-Base interactions energy: -659.124 where: short stacking energy: -284.757 Base-Backbone interact. energy: 1.555 local terms energy: -314.920672 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -72.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -889.029544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.029544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.029544 (E_RNA) where: Base-Base interactions energy: -604.951 where: short stacking energy: -261.611 Base-Backbone interact. energy: -1.677 local terms energy: -282.401908 where: bonds (distance) C4'-P energy: -56.378 bonds (distance) P-C4' energy: -58.205 flat angles C4'-P-C4' energy: -65.344 flat angles P-C4'-P energy: -32.258 tors. eta vs tors. theta energy: -70.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -835.680737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.680737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.680737 (E_RNA) where: Base-Base interactions energy: -561.760 where: short stacking energy: -273.441 Base-Backbone interact. energy: 0.628 local terms energy: -274.548684 where: bonds (distance) C4'-P energy: -51.389 bonds (distance) P-C4' energy: -53.053 flat angles C4'-P-C4' energy: -55.776 flat angles P-C4'-P energy: -36.048 tors. eta vs tors. theta energy: -78.283 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: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -770.243460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.243460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.243460 (E_RNA) where: Base-Base interactions energy: -508.711 where: short stacking energy: -229.726 Base-Backbone interact. energy: -0.748 local terms energy: -260.785097 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -67.572 flat angles P-C4'-P energy: -36.012 tors. eta vs tors. theta energy: -47.388 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: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -811.940767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.940767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.940767 (E_RNA) where: Base-Base interactions energy: -537.273 where: short stacking energy: -243.647 Base-Backbone interact. energy: -0.141 local terms energy: -274.527023 where: bonds (distance) C4'-P energy: -53.777 bonds (distance) P-C4' energy: -62.039 flat angles C4'-P-C4' energy: -58.316 flat angles P-C4'-P energy: -36.491 tors. eta vs tors. theta energy: -63.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -653.916262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.916262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.916262 (E_RNA) where: Base-Base interactions energy: -426.526 where: short stacking energy: -199.063 Base-Backbone interact. energy: -0.591 local terms energy: -226.799067 where: bonds (distance) C4'-P energy: -44.127 bonds (distance) P-C4' energy: -47.679 flat angles C4'-P-C4' energy: -59.023 flat angles P-C4'-P energy: -26.071 tors. eta vs tors. theta energy: -49.899 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: 34 Temperature: 1.200000 Total energy: -586.855936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.855936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.855936 (E_RNA) where: Base-Base interactions energy: -365.253 where: short stacking energy: -190.707 Base-Backbone interact. energy: 0.539 local terms energy: -222.141731 where: bonds (distance) C4'-P energy: -48.953 bonds (distance) P-C4' energy: -53.252 flat angles C4'-P-C4' energy: -48.664 flat angles P-C4'-P energy: -35.324 tors. eta vs tors. theta energy: -35.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -428.151011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.151011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.151011 (E_RNA) where: Base-Base interactions energy: -232.339 where: short stacking energy: -132.765 Base-Backbone interact. energy: 7.615 local terms energy: -203.426773 where: bonds (distance) C4'-P energy: -57.042 bonds (distance) P-C4' energy: -43.178 flat angles C4'-P-C4' energy: -50.024 flat angles P-C4'-P energy: -33.261 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -390.032224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.032224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.032224 (E_RNA) where: Base-Base interactions energy: -201.130 where: short stacking energy: -108.134 Base-Backbone interact. energy: -0.167 local terms energy: -188.735703 where: bonds (distance) C4'-P energy: -44.470 bonds (distance) P-C4' energy: -56.381 flat angles C4'-P-C4' energy: -46.503 flat angles P-C4'-P energy: -37.004 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -320.872951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.872951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.872951 (E_RNA) where: Base-Base interactions energy: -154.498 where: short stacking energy: -93.352 Base-Backbone interact. energy: -1.219 local terms energy: -165.155826 where: bonds (distance) C4'-P energy: -40.989 bonds (distance) P-C4' energy: -53.110 flat angles C4'-P-C4' energy: -49.399 flat angles P-C4'-P energy: -21.943 tors. eta vs tors. theta energy: 0.286 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: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -989.746193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.746193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.746193 (E_RNA) where: Base-Base interactions energy: -690.228 where: short stacking energy: -285.829 Base-Backbone interact. energy: -1.007 local terms energy: -298.510850 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -59.160 flat angles C4'-P-C4' energy: -66.039 flat angles P-C4'-P energy: -33.211 tors. eta vs tors. theta energy: -79.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -901.864364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.864364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.864364 (E_RNA) where: Base-Base interactions energy: -608.147 where: short stacking energy: -274.215 Base-Backbone interact. energy: 0.013 local terms energy: -293.730651 where: bonds (distance) C4'-P energy: -59.096 bonds (distance) P-C4' energy: -61.976 flat angles C4'-P-C4' energy: -67.491 flat angles P-C4'-P energy: -41.574 tors. eta vs tors. theta energy: -63.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -814.399444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.399444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.399444 (E_RNA) where: Base-Base interactions energy: -524.973 where: short stacking energy: -238.848 Base-Backbone interact. energy: -0.935 local terms energy: -288.491390 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -48.495 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -45.996 tors. eta vs tors. theta energy: -71.941 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: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -848.969563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.969563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.969563 (E_RNA) where: Base-Base interactions energy: -558.642 where: short stacking energy: -254.958 Base-Backbone interact. energy: -3.071 local terms energy: -287.256443 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -61.106 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -65.542 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: 5, replica: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -771.878902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.878902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.878902 (E_RNA) where: Base-Base interactions energy: -506.885 where: short stacking energy: -230.659 Base-Backbone interact. energy: -0.845 local terms energy: -264.148831 where: bonds (distance) C4'-P energy: -59.473 bonds (distance) P-C4' energy: -54.466 flat angles C4'-P-C4' energy: -57.412 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -59.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -701.547882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.547882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.547882 (E_RNA) where: Base-Base interactions energy: -458.599 where: short stacking energy: -198.784 Base-Backbone interact. energy: -1.348 local terms energy: -241.600762 where: bonds (distance) C4'-P energy: -44.985 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -60.313 flat angles P-C4'-P energy: -34.662 tors. eta vs tors. theta energy: -49.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -587.131096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.131096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.131096 (E_RNA) where: Base-Base interactions energy: -358.702 where: short stacking energy: -151.778 Base-Backbone interact. energy: -0.667 local terms energy: -227.761560 where: bonds (distance) C4'-P energy: -48.905 bonds (distance) P-C4' energy: -51.347 flat angles C4'-P-C4' energy: -50.356 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -32.383 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: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -457.166897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.166897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.166897 (E_RNA) where: Base-Base interactions energy: -260.667 where: short stacking energy: -133.085 Base-Backbone interact. energy: -1.053 local terms energy: -195.447681 where: bonds (distance) C4'-P energy: -43.794 bonds (distance) P-C4' energy: -59.916 flat angles C4'-P-C4' energy: -53.444 flat angles P-C4'-P energy: -19.266 tors. eta vs tors. theta energy: -19.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -375.358592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.358592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.358592 (E_RNA) where: Base-Base interactions energy: -201.777 where: short stacking energy: -116.846 Base-Backbone interact. energy: -0.494 local terms energy: -173.087724 where: bonds (distance) C4'-P energy: -44.421 bonds (distance) P-C4' energy: -40.560 flat angles C4'-P-C4' energy: -46.277 flat angles P-C4'-P energy: -27.147 tors. eta vs tors. theta energy: -14.683 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -323.986421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.986421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.986421 (E_RNA) where: Base-Base interactions energy: -157.565 where: short stacking energy: -89.605 Base-Backbone interact. energy: 3.027 local terms energy: -169.448007 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -55.887 flat angles C4'-P-C4' energy: -35.644 flat angles P-C4'-P energy: -22.593 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1003.311153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.311153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.311153 (E_RNA) where: Base-Base interactions energy: -703.182 where: short stacking energy: -277.442 Base-Backbone interact. energy: -1.646 local terms energy: -298.482655 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -37.281 tors. eta vs tors. theta energy: -78.846 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: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -919.423591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.423591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.423591 (E_RNA) where: Base-Base interactions energy: -624.007 where: short stacking energy: -284.224 Base-Backbone interact. energy: 1.882 local terms energy: -297.299107 where: bonds (distance) C4'-P energy: -47.530 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -75.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -845.048219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.048219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.048219 (E_RNA) where: Base-Base interactions energy: -571.670 where: short stacking energy: -251.749 Base-Backbone interact. energy: -0.667 local terms energy: -272.711530 where: bonds (distance) C4'-P energy: -44.379 bonds (distance) P-C4' energy: -53.687 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -74.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -798.679231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.679231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.679231 (E_RNA) where: Base-Base interactions energy: -524.168 where: short stacking energy: -235.150 Base-Backbone interact. energy: 0.695 local terms energy: -275.207159 where: bonds (distance) C4'-P energy: -52.203 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -54.921 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -64.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -743.273992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.273992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.273992 (E_RNA) where: Base-Base interactions energy: -485.311 where: short stacking energy: -230.742 Base-Backbone interact. energy: -0.991 local terms energy: -256.971501 where: bonds (distance) C4'-P energy: -45.165 bonds (distance) P-C4' energy: -50.045 flat angles C4'-P-C4' energy: -52.867 flat angles P-C4'-P energy: -42.422 tors. eta vs tors. theta energy: -66.472 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: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -677.481883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.481883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.481883 (E_RNA) where: Base-Base interactions energy: -423.654 where: short stacking energy: -198.936 Base-Backbone interact. energy: -1.358 local terms energy: -252.469828 where: bonds (distance) C4'-P energy: -57.026 bonds (distance) P-C4' energy: -48.190 flat angles C4'-P-C4' energy: -54.561 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: -49.813 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: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -542.250620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.250620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.250620 (E_RNA) where: Base-Base interactions energy: -338.094 where: short stacking energy: -150.722 Base-Backbone interact. energy: 4.449 local terms energy: -208.606053 where: bonds (distance) C4'-P energy: -38.239 bonds (distance) P-C4' energy: -53.755 flat angles C4'-P-C4' energy: -53.242 flat angles P-C4'-P energy: -39.440 tors. eta vs tors. theta energy: -23.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -473.089462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.089462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.089462 (E_RNA) where: Base-Base interactions energy: -291.036 where: short stacking energy: -146.813 Base-Backbone interact. energy: -0.541 local terms energy: -181.513148 where: bonds (distance) C4'-P energy: -46.730 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -34.395 flat angles P-C4'-P energy: -20.554 tors. eta vs tors. theta energy: -21.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -374.835721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.835721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.835721 (E_RNA) where: Base-Base interactions energy: -197.635 where: short stacking energy: -118.838 Base-Backbone interact. energy: -1.023 local terms energy: -176.177117 where: bonds (distance) C4'-P energy: -49.382 bonds (distance) P-C4' energy: -53.220 flat angles C4'-P-C4' energy: -42.324 flat angles P-C4'-P energy: -25.934 tors. eta vs tors. theta energy: -5.317 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -299.380005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.380005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.380005 (E_RNA) where: Base-Base interactions energy: -133.802 where: short stacking energy: -97.811 Base-Backbone interact. energy: 1.228 local terms energy: -166.806176 where: bonds (distance) C4'-P energy: -46.027 bonds (distance) P-C4' energy: -40.585 flat angles C4'-P-C4' energy: -44.497 flat angles P-C4'-P energy: -27.905 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1001.063545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.063545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.063545 (E_RNA) where: Base-Base interactions energy: -705.716 where: short stacking energy: -285.921 Base-Backbone interact. energy: -2.592 local terms energy: -292.755975 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -53.976 flat angles C4'-P-C4' energy: -58.649 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -77.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -900.207309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.207309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.207309 (E_RNA) where: Base-Base interactions energy: -602.721 where: short stacking energy: -268.789 Base-Backbone interact. energy: -1.320 local terms energy: -296.165549 where: bonds (distance) C4'-P energy: -55.461 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -36.772 tors. eta vs tors. theta energy: -78.032 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: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -851.322657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.322657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.322657 (E_RNA) where: Base-Base interactions energy: -577.215 where: short stacking energy: -236.495 Base-Backbone interact. energy: -0.012 local terms energy: -274.094884 where: bonds (distance) C4'-P energy: -44.963 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -60.969 flat angles P-C4'-P energy: -41.310 tors. eta vs tors. theta energy: -65.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -816.134902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.134902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.134902 (E_RNA) where: Base-Base interactions energy: -535.043 where: short stacking energy: -248.049 Base-Backbone interact. energy: -0.730 local terms energy: -280.361059 where: bonds (distance) C4'-P energy: -54.015 bonds (distance) P-C4' energy: -56.092 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -69.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -804.001825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.001825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.001825 (E_RNA) where: Base-Base interactions energy: -553.307 where: short stacking energy: -244.837 Base-Backbone interact. energy: -0.822 local terms energy: -249.872652 where: bonds (distance) C4'-P energy: -51.647 bonds (distance) P-C4' energy: -55.686 flat angles C4'-P-C4' energy: -59.034 flat angles P-C4'-P energy: -27.820 tors. eta vs tors. theta energy: -55.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -690.900778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.900778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.900778 (E_RNA) where: Base-Base interactions energy: -435.289 where: short stacking energy: -188.555 Base-Backbone interact. energy: -2.003 local terms energy: -253.608655 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -56.611 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -43.167 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: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -560.148210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.148210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.148210 (E_RNA) where: Base-Base interactions energy: -341.347 where: short stacking energy: -185.603 Base-Backbone interact. energy: 0.691 local terms energy: -219.492199 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -50.945 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -21.315 tors. eta vs tors. theta energy: -36.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -443.444968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.444968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.444968 (E_RNA) where: Base-Base interactions energy: -248.696 where: short stacking energy: -116.039 Base-Backbone interact. energy: -1.124 local terms energy: -193.624217 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -55.275 flat angles C4'-P-C4' energy: -38.758 flat angles P-C4'-P energy: -32.279 tors. eta vs tors. theta energy: -19.689 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: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -401.354558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.354558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.354558 (E_RNA) where: Base-Base interactions energy: -208.130 where: short stacking energy: -130.505 Base-Backbone interact. energy: 1.664 local terms energy: -194.888673 where: bonds (distance) C4'-P energy: -50.818 bonds (distance) P-C4' energy: -53.429 flat angles C4'-P-C4' energy: -37.751 flat angles P-C4'-P energy: -26.133 tors. eta vs tors. theta energy: -26.758 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: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -379.642865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.642865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.642865 (E_RNA) where: Base-Base interactions energy: -211.555 where: short stacking energy: -109.744 Base-Backbone interact. energy: 6.186 local terms energy: -174.274366 where: bonds (distance) C4'-P energy: -51.241 bonds (distance) P-C4' energy: -50.598 flat angles C4'-P-C4' energy: -32.379 flat angles P-C4'-P energy: -31.440 tors. eta vs tors. theta energy: -8.617 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1006.317859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.317859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.317859 (E_RNA) where: Base-Base interactions energy: -716.584 where: short stacking energy: -285.363 Base-Backbone interact. energy: 0.157 local terms energy: -289.890998 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -53.763 flat angles C4'-P-C4' energy: -65.505 flat angles P-C4'-P energy: -45.123 tors. eta vs tors. theta energy: -69.611 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: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -914.929194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.929194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.929194 (E_RNA) where: Base-Base interactions energy: -614.785 where: short stacking energy: -271.180 Base-Backbone interact. energy: 0.012 local terms energy: -300.156530 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -63.277 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: -74.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -859.090956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.090956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.090956 (E_RNA) where: Base-Base interactions energy: -573.712 where: short stacking energy: -254.180 Base-Backbone interact. energy: -1.709 local terms energy: -283.669421 where: bonds (distance) C4'-P energy: -50.209 bonds (distance) P-C4' energy: -52.722 flat angles C4'-P-C4' energy: -60.176 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -69.812 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: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -777.354535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.354535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.354535 (E_RNA) where: Base-Base interactions energy: -508.182 where: short stacking energy: -239.823 Base-Backbone interact. energy: -0.436 local terms energy: -268.737292 where: bonds (distance) C4'-P energy: -51.005 bonds (distance) P-C4' energy: -57.907 flat angles C4'-P-C4' energy: -56.345 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: -70.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -785.857003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.857003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.857003 (E_RNA) where: Base-Base interactions energy: -523.871 where: short stacking energy: -238.558 Base-Backbone interact. energy: -2.250 local terms energy: -259.735527 where: bonds (distance) C4'-P energy: -48.904 bonds (distance) P-C4' energy: -60.605 flat angles C4'-P-C4' energy: -58.839 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -57.441 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: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -680.922398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.922398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.922398 (E_RNA) where: Base-Base interactions energy: -448.767 where: short stacking energy: -189.900 Base-Backbone interact. energy: 2.025 local terms energy: -234.180387 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -45.625 flat angles C4'-P-C4' energy: -57.102 flat angles P-C4'-P energy: -32.872 tors. eta vs tors. theta energy: -43.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -487.468995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.468995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.468995 (E_RNA) where: Base-Base interactions energy: -286.465 where: short stacking energy: -164.649 Base-Backbone interact. energy: 1.610 local terms energy: -202.614607 where: bonds (distance) C4'-P energy: -41.364 bonds (distance) P-C4' energy: -46.483 flat angles C4'-P-C4' energy: -46.688 flat angles P-C4'-P energy: -37.508 tors. eta vs tors. theta energy: -30.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -522.564905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.564905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.564905 (E_RNA) where: Base-Base interactions energy: -320.707 where: short stacking energy: -165.896 Base-Backbone interact. energy: 1.955 local terms energy: -203.813193 where: bonds (distance) C4'-P energy: -51.314 bonds (distance) P-C4' energy: -46.880 flat angles C4'-P-C4' energy: -44.523 flat angles P-C4'-P energy: -25.012 tors. eta vs tors. theta energy: -36.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -312.129568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.129568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.129568 (E_RNA) where: Base-Base interactions energy: -132.292 where: short stacking energy: -86.458 Base-Backbone interact. energy: 0.526 local terms energy: -180.363385 where: bonds (distance) C4'-P energy: -45.148 bonds (distance) P-C4' energy: -55.089 flat angles C4'-P-C4' energy: -41.726 flat angles P-C4'-P energy: -28.966 tors. eta vs tors. theta energy: -9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -356.181347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.181347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.181347 (E_RNA) where: Base-Base interactions energy: -192.222 where: short stacking energy: -96.266 Base-Backbone interact. energy: 0.710 local terms energy: -164.670170 where: bonds (distance) C4'-P energy: -36.954 bonds (distance) P-C4' energy: -47.661 flat angles C4'-P-C4' energy: -42.862 flat angles P-C4'-P energy: -26.811 tors. eta vs tors. theta energy: -10.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1023.844550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.844550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.844550 (E_RNA) where: Base-Base interactions energy: -734.887 where: short stacking energy: -301.815 Base-Backbone interact. energy: -2.117 local terms energy: -286.840584 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -53.530 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -79.663 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: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -930.771474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.771474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.771474 (E_RNA) where: Base-Base interactions energy: -646.253 where: short stacking energy: -278.596 Base-Backbone interact. energy: 1.355 local terms energy: -285.874295 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -54.480 flat angles C4'-P-C4' energy: -66.462 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -69.977 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -871.547206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.547206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.547206 (E_RNA) where: Base-Base interactions energy: -581.440 where: short stacking energy: -256.202 Base-Backbone interact. energy: -1.884 local terms energy: -288.223934 where: bonds (distance) C4'-P energy: -55.453 bonds (distance) P-C4' energy: -53.990 flat angles C4'-P-C4' energy: -64.579 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: -74.334 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: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -814.274802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.274802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.274802 (E_RNA) where: Base-Base interactions energy: -530.604 where: short stacking energy: -252.796 Base-Backbone interact. energy: -0.557 local terms energy: -283.114323 where: bonds (distance) C4'-P energy: -62.179 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -60.924 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: -59.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -727.430815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.430815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.430815 (E_RNA) where: Base-Base interactions energy: -475.632 where: short stacking energy: -236.876 Base-Backbone interact. energy: -1.261 local terms energy: -250.538301 where: bonds (distance) C4'-P energy: -49.594 bonds (distance) P-C4' energy: -53.724 flat angles C4'-P-C4' energy: -45.254 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: -61.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -693.467384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.467384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.467384 (E_RNA) where: Base-Base interactions energy: -466.888 where: short stacking energy: -204.297 Base-Backbone interact. energy: 1.980 local terms energy: -228.558826 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -37.258 flat angles C4'-P-C4' energy: -55.184 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -51.292 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: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -509.043838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.043838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.043838 (E_RNA) where: Base-Base interactions energy: -287.350 where: short stacking energy: -159.102 Base-Backbone interact. energy: 0.503 local terms energy: -222.196166 where: bonds (distance) C4'-P energy: -48.530 bonds (distance) P-C4' energy: -54.264 flat angles C4'-P-C4' energy: -54.519 flat angles P-C4'-P energy: -36.612 tors. eta vs tors. theta energy: -28.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -533.405524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.405524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.405524 (E_RNA) where: Base-Base interactions energy: -317.231 where: short stacking energy: -146.154 Base-Backbone interact. energy: -1.566 local terms energy: -214.607717 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -51.038 flat angles P-C4'-P energy: -28.382 tors. eta vs tors. theta energy: -23.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -346.342112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.342112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.342112 (E_RNA) where: Base-Base interactions energy: -151.445 where: short stacking energy: -105.695 Base-Backbone interact. energy: -0.197 local terms energy: -194.699885 where: bonds (distance) C4'-P energy: -45.699 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -40.250 flat angles P-C4'-P energy: -32.026 tors. eta vs tors. theta energy: -18.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -359.501518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.501518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.501518 (E_RNA) where: Base-Base interactions energy: -190.451 where: short stacking energy: -109.224 Base-Backbone interact. energy: -1.275 local terms energy: -167.774793 where: bonds (distance) C4'-P energy: -47.543 bonds (distance) P-C4' energy: -49.319 flat angles C4'-P-C4' energy: -41.818 flat angles P-C4'-P energy: -24.722 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1002.186897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.186897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.186897 (E_RNA) where: Base-Base interactions energy: -706.823 where: short stacking energy: -284.717 Base-Backbone interact. energy: -1.402 local terms energy: -293.962066 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -61.807 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -73.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -906.552573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.552573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.552573 (E_RNA) where: Base-Base interactions energy: -612.217 where: short stacking energy: -277.619 Base-Backbone interact. energy: -0.679 local terms energy: -293.656507 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -51.948 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -43.045 tors. eta vs tors. theta energy: -77.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -850.691779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.691779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.691779 (E_RNA) where: Base-Base interactions energy: -571.924 where: short stacking energy: -269.459 Base-Backbone interact. energy: -1.007 local terms energy: -277.761380 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -53.698 flat angles C4'-P-C4' energy: -61.061 flat angles P-C4'-P energy: -33.542 tors. eta vs tors. theta energy: -73.815 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: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -841.694892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.694892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.694892 (E_RNA) where: Base-Base interactions energy: -578.275 where: short stacking energy: -240.297 Base-Backbone interact. energy: -0.503 local terms energy: -262.916506 where: bonds (distance) C4'-P energy: -52.561 bonds (distance) P-C4' energy: -57.458 flat angles C4'-P-C4' energy: -52.105 flat angles P-C4'-P energy: -32.058 tors. eta vs tors. theta energy: -68.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -737.974404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.974404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.974404 (E_RNA) where: Base-Base interactions energy: -472.264 where: short stacking energy: -192.888 Base-Backbone interact. energy: 2.039 local terms energy: -267.749353 where: bonds (distance) C4'-P energy: -55.625 bonds (distance) P-C4' energy: -62.597 flat angles C4'-P-C4' energy: -63.216 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -49.043 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: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -676.756008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.756008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.756008 (E_RNA) where: Base-Base interactions energy: -436.609 where: short stacking energy: -202.319 Base-Backbone interact. energy: -0.700 local terms energy: -239.447016 where: bonds (distance) C4'-P energy: -47.181 bonds (distance) P-C4' energy: -56.452 flat angles C4'-P-C4' energy: -55.799 flat angles P-C4'-P energy: -32.378 tors. eta vs tors. theta energy: -47.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -599.756271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.756271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.756271 (E_RNA) where: Base-Base interactions energy: -370.210 where: short stacking energy: -181.311 Base-Backbone interact. energy: 0.283 local terms energy: -229.829439 where: bonds (distance) C4'-P energy: -53.629 bonds (distance) P-C4' energy: -54.469 flat angles C4'-P-C4' energy: -51.141 flat angles P-C4'-P energy: -31.097 tors. eta vs tors. theta energy: -39.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -457.706681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.706681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.706681 (E_RNA) where: Base-Base interactions energy: -261.797 where: short stacking energy: -118.873 Base-Backbone interact. energy: -2.470 local terms energy: -193.439588 where: bonds (distance) C4'-P energy: -52.096 bonds (distance) P-C4' energy: -45.146 flat angles C4'-P-C4' energy: -43.721 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -17.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -391.036976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.036976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.036976 (E_RNA) where: Base-Base interactions energy: -189.755 where: short stacking energy: -130.166 Base-Backbone interact. energy: 0.368 local terms energy: -201.650134 where: bonds (distance) C4'-P energy: -38.676 bonds (distance) P-C4' energy: -52.635 flat angles C4'-P-C4' energy: -46.989 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -27.096 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: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -322.664041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.664041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.664041 (E_RNA) where: Base-Base interactions energy: -148.355 where: short stacking energy: -84.356 Base-Backbone interact. energy: 3.859 local terms energy: -178.167761 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -42.391 flat angles C4'-P-C4' energy: -41.864 flat angles P-C4'-P energy: -31.510 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1028.634170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.634170 (E_RNA) where: Base-Base interactions energy: -726.360 where: short stacking energy: -299.379 Base-Backbone interact. energy: -0.962 local terms energy: -301.311821 where: bonds (distance) C4'-P energy: -56.910 bonds (distance) P-C4' energy: -60.225 flat angles C4'-P-C4' energy: -63.710 flat angles P-C4'-P energy: -41.836 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: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -920.570901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.570901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.570901 (E_RNA) where: Base-Base interactions energy: -632.902 where: short stacking energy: -275.527 Base-Backbone interact. energy: -0.864 local terms energy: -286.805386 where: bonds (distance) C4'-P energy: -54.537 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -59.165 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: -71.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -869.569166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.569166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.569166 (E_RNA) where: Base-Base interactions energy: -603.077 where: short stacking energy: -275.728 Base-Backbone interact. energy: -0.864 local terms energy: -265.628232 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -48.241 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: -73.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -884.501356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.501356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.501356 (E_RNA) where: Base-Base interactions energy: -610.855 where: short stacking energy: -273.483 Base-Backbone interact. energy: -1.146 local terms energy: -272.499747 where: bonds (distance) C4'-P energy: -44.442 bonds (distance) P-C4' energy: -55.034 flat angles C4'-P-C4' energy: -55.911 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -72.282 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: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -724.498250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.498250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.498250 (E_RNA) where: Base-Base interactions energy: -486.768 where: short stacking energy: -205.617 Base-Backbone interact. energy: -2.686 local terms energy: -235.044206 where: bonds (distance) C4'-P energy: -43.254 bonds (distance) P-C4' energy: -49.859 flat angles C4'-P-C4' energy: -54.397 flat angles P-C4'-P energy: -28.240 tors. eta vs tors. theta energy: -59.294 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: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -691.310970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.310970 (E_RNA) where: Base-Base interactions energy: -486.626 where: short stacking energy: -201.500 Base-Backbone interact. energy: -0.501 local terms energy: -204.183926 where: bonds (distance) C4'-P energy: -31.724 bonds (distance) P-C4' energy: -49.293 flat angles C4'-P-C4' energy: -53.635 flat angles P-C4'-P energy: -27.752 tors. eta vs tors. theta energy: -41.780 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: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -603.206435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.206435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.206435 (E_RNA) where: Base-Base interactions energy: -372.914 where: short stacking energy: -191.542 Base-Backbone interact. energy: -0.836 local terms energy: -229.456467 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -52.082 flat angles C4'-P-C4' energy: -51.244 flat angles P-C4'-P energy: -26.701 tors. eta vs tors. theta energy: -42.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -437.654070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.654070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.654070 (E_RNA) where: Base-Base interactions energy: -247.656 where: short stacking energy: -130.623 Base-Backbone interact. energy: -0.843 local terms energy: -189.154398 where: bonds (distance) C4'-P energy: -50.663 bonds (distance) P-C4' energy: -50.657 flat angles C4'-P-C4' energy: -42.206 flat angles P-C4'-P energy: -29.750 tors. eta vs tors. theta energy: -15.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -390.426926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.426926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.426926 (E_RNA) where: Base-Base interactions energy: -218.627 where: short stacking energy: -100.190 Base-Backbone interact. energy: -1.841 local terms energy: -169.958224 where: bonds (distance) C4'-P energy: -41.910 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -45.141 flat angles P-C4'-P energy: -22.662 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -262.112759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.112759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.112759 (E_RNA) where: Base-Base interactions energy: -95.907 where: short stacking energy: -87.404 Base-Backbone interact. energy: 2.394 local terms energy: -168.599694 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -48.468 flat angles C4'-P-C4' energy: -27.514 flat angles P-C4'-P energy: -35.930 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1023.743994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.743994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.743994 (E_RNA) where: Base-Base interactions energy: -710.435 where: short stacking energy: -301.277 Base-Backbone interact. energy: -1.002 local terms energy: -312.307076 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -82.302 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: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -936.911857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.911857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.911857 (E_RNA) where: Base-Base interactions energy: -646.627 where: short stacking energy: -281.620 Base-Backbone interact. energy: -1.435 local terms energy: -288.849604 where: bonds (distance) C4'-P energy: -50.726 bonds (distance) P-C4' energy: -55.603 flat angles C4'-P-C4' energy: -66.110 flat angles P-C4'-P energy: -42.448 tors. eta vs tors. theta energy: -73.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -897.088528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.088528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.088528 (E_RNA) where: Base-Base interactions energy: -628.409 where: short stacking energy: -279.212 Base-Backbone interact. energy: -1.021 local terms energy: -267.659210 where: bonds (distance) C4'-P energy: -47.962 bonds (distance) P-C4' energy: -50.334 flat angles C4'-P-C4' energy: -59.751 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: -72.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -841.157798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.157798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.157798 (E_RNA) where: Base-Base interactions energy: -571.456 where: short stacking energy: -252.139 Base-Backbone interact. energy: -1.041 local terms energy: -268.660165 where: bonds (distance) C4'-P energy: -47.392 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -53.409 flat angles P-C4'-P energy: -31.787 tors. eta vs tors. theta energy: -71.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -754.798521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.798521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.798521 (E_RNA) where: Base-Base interactions energy: -523.359 where: short stacking energy: -215.643 Base-Backbone interact. energy: 0.172 local terms energy: -231.611641 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -52.264 flat angles C4'-P-C4' energy: -50.791 flat angles P-C4'-P energy: -28.620 tors. eta vs tors. theta energy: -46.025 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: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -704.498500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.498500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.498500 (E_RNA) where: Base-Base interactions energy: -472.491 where: short stacking energy: -203.163 Base-Backbone interact. energy: -1.457 local terms energy: -230.549947 where: bonds (distance) C4'-P energy: -45.510 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -27.686 tors. eta vs tors. theta energy: -50.195 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -580.319259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.319259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.319259 (E_RNA) where: Base-Base interactions energy: -361.141 where: short stacking energy: -174.498 Base-Backbone interact. energy: -1.418 local terms energy: -217.760468 where: bonds (distance) C4'-P energy: -49.479 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -49.944 flat angles P-C4'-P energy: -20.692 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: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -429.853300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.853300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.853300 (E_RNA) where: Base-Base interactions energy: -261.063 where: short stacking energy: -144.665 Base-Backbone interact. energy: 3.252 local terms energy: -172.042239 where: bonds (distance) C4'-P energy: -37.001 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -44.839 flat angles P-C4'-P energy: -20.484 tors. eta vs tors. theta energy: -17.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -271.710576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.710576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.710576 (E_RNA) where: Base-Base interactions energy: -102.103 where: short stacking energy: -94.374 Base-Backbone interact. energy: -3.249 local terms energy: -166.359258 where: bonds (distance) C4'-P energy: -53.071 bonds (distance) P-C4' energy: -43.346 flat angles C4'-P-C4' energy: -45.847 flat angles P-C4'-P energy: -18.606 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -382.484458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.484458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.484458 (E_RNA) where: Base-Base interactions energy: -181.569 where: short stacking energy: -118.680 Base-Backbone interact. energy: -0.970 local terms energy: -199.944840 where: bonds (distance) C4'-P energy: -53.452 bonds (distance) P-C4' energy: -49.173 flat angles C4'-P-C4' energy: -48.301 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -14.536 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: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1018.304442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.304442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.304442 (E_RNA) where: Base-Base interactions energy: -710.876 where: short stacking energy: -278.608 Base-Backbone interact. energy: 0.579 local terms energy: -308.006971 where: bonds (distance) C4'-P energy: -54.733 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -63.968 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -82.269 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: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -918.991350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.991350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.991350 (E_RNA) where: Base-Base interactions energy: -628.762 where: short stacking energy: -275.241 Base-Backbone interact. energy: -1.868 local terms energy: -288.361322 where: bonds (distance) C4'-P energy: -57.180 bonds (distance) P-C4' energy: -55.806 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -40.265 tors. eta vs tors. theta energy: -74.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -892.635526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.635526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.635526 (E_RNA) where: Base-Base interactions energy: -614.105 where: short stacking energy: -269.760 Base-Backbone interact. energy: 1.934 local terms energy: -280.464966 where: bonds (distance) C4'-P energy: -58.680 bonds (distance) P-C4' energy: -47.006 flat angles C4'-P-C4' energy: -61.915 flat angles P-C4'-P energy: -39.507 tors. eta vs tors. theta energy: -73.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -858.277795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.277795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.277795 (E_RNA) where: Base-Base interactions energy: -575.954 where: short stacking energy: -257.094 Base-Backbone interact. energy: -1.024 local terms energy: -281.299752 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -62.573 flat angles C4'-P-C4' energy: -57.037 flat angles P-C4'-P energy: -39.687 tors. eta vs tors. theta energy: -62.548 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: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -736.663525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.663525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.663525 (E_RNA) where: Base-Base interactions energy: -506.591 where: short stacking energy: -219.687 Base-Backbone interact. energy: -0.471 local terms energy: -229.601993 where: bonds (distance) C4'-P energy: -45.753 bonds (distance) P-C4' energy: -60.294 flat angles C4'-P-C4' energy: -50.843 flat angles P-C4'-P energy: -23.318 tors. eta vs tors. theta energy: -49.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -678.281855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.281855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.281855 (E_RNA) where: Base-Base interactions energy: -453.632 where: short stacking energy: -221.497 Base-Backbone interact. energy: 2.026 local terms energy: -226.675135 where: bonds (distance) C4'-P energy: -49.352 bonds (distance) P-C4' energy: -41.831 flat angles C4'-P-C4' energy: -50.765 flat angles P-C4'-P energy: -28.972 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: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -512.415046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.415046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.415046 (E_RNA) where: Base-Base interactions energy: -299.066 where: short stacking energy: -137.627 Base-Backbone interact. energy: 1.428 local terms energy: -214.777682 where: bonds (distance) C4'-P energy: -54.555 bonds (distance) P-C4' energy: -55.928 flat angles C4'-P-C4' energy: -46.370 flat angles P-C4'-P energy: -32.700 tors. eta vs tors. theta energy: -25.224 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: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -445.336709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.336709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.336709 (E_RNA) where: Base-Base interactions energy: -258.853 where: short stacking energy: -134.884 Base-Backbone interact. energy: -0.586 local terms energy: -185.898000 where: bonds (distance) C4'-P energy: -48.669 bonds (distance) P-C4' energy: -41.648 flat angles C4'-P-C4' energy: -51.604 flat angles P-C4'-P energy: -28.496 tors. eta vs tors. theta energy: -15.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -283.140690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.140690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.140690 (E_RNA) where: Base-Base interactions energy: -109.424 where: short stacking energy: -93.388 Base-Backbone interact. energy: -0.976 local terms energy: -172.740588 where: bonds (distance) C4'-P energy: -47.837 bonds (distance) P-C4' energy: -54.018 flat angles C4'-P-C4' energy: -41.057 flat angles P-C4'-P energy: -23.344 tors. eta vs tors. theta energy: -6.484 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: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -367.796174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.796174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.796174 (E_RNA) where: Base-Base interactions energy: -195.382 where: short stacking energy: -110.303 Base-Backbone interact. energy: 1.141 local terms energy: -173.555442 where: bonds (distance) C4'-P energy: -52.675 bonds (distance) P-C4' energy: -42.843 flat angles C4'-P-C4' energy: -49.094 flat angles P-C4'-P energy: -17.931 tors. eta vs tors. theta energy: -11.014 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: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1022.558364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.558364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.558364 (E_RNA) where: Base-Base interactions energy: -721.679 where: short stacking energy: -292.813 Base-Backbone interact. energy: 0.007 local terms energy: -300.886297 where: bonds (distance) C4'-P energy: -57.356 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -62.965 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -75.120 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: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -882.747393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.747393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.747393 (E_RNA) where: Base-Base interactions energy: -600.613 where: short stacking energy: -258.936 Base-Backbone interact. energy: 0.566 local terms energy: -282.700246 where: bonds (distance) C4'-P energy: -52.705 bonds (distance) P-C4' energy: -54.969 flat angles C4'-P-C4' energy: -61.392 flat angles P-C4'-P energy: -40.046 tors. eta vs tors. theta energy: -73.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -889.458593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.458593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.458593 (E_RNA) where: Base-Base interactions energy: -605.397 where: short stacking energy: -264.023 Base-Backbone interact. energy: -1.091 local terms energy: -282.970659 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -59.161 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: -71.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -883.179048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.179048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.179048 (E_RNA) where: Base-Base interactions energy: -597.898 where: short stacking energy: -256.056 Base-Backbone interact. energy: -1.435 local terms energy: -283.845837 where: bonds (distance) C4'-P energy: -50.610 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -73.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -717.739109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.739109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.739109 (E_RNA) where: Base-Base interactions energy: -481.034 where: short stacking energy: -184.919 Base-Backbone interact. energy: -1.160 local terms energy: -235.544927 where: bonds (distance) C4'-P energy: -44.525 bonds (distance) P-C4' energy: -51.794 flat angles C4'-P-C4' energy: -59.069 flat angles P-C4'-P energy: -31.384 tors. eta vs tors. theta energy: -48.774 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: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -659.778199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.778199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.778199 (E_RNA) where: Base-Base interactions energy: -416.105 where: short stacking energy: -204.260 Base-Backbone interact. energy: -1.000 local terms energy: -242.674007 where: bonds (distance) C4'-P energy: -48.964 bonds (distance) P-C4' energy: -56.812 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -35.039 tors. eta vs tors. theta energy: -45.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -537.116630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.116630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.116630 (E_RNA) where: Base-Base interactions energy: -325.707 where: short stacking energy: -158.795 Base-Backbone interact. energy: -1.142 local terms energy: -210.268326 where: bonds (distance) C4'-P energy: -47.171 bonds (distance) P-C4' energy: -46.223 flat angles C4'-P-C4' energy: -60.156 flat angles P-C4'-P energy: -30.098 tors. eta vs tors. theta energy: -26.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -472.023604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.023604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.023604 (E_RNA) where: Base-Base interactions energy: -276.034 where: short stacking energy: -102.489 Base-Backbone interact. energy: -1.715 local terms energy: -194.274624 where: bonds (distance) C4'-P energy: -53.284 bonds (distance) P-C4' energy: -51.576 flat angles C4'-P-C4' energy: -53.039 flat angles P-C4'-P energy: -30.219 tors. eta vs tors. theta energy: -6.156 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: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -401.642532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.642532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.642532 (E_RNA) where: Base-Base interactions energy: -231.285 where: short stacking energy: -118.320 Base-Backbone interact. energy: -1.595 local terms energy: -168.762603 where: bonds (distance) C4'-P energy: -40.411 bonds (distance) P-C4' energy: -49.000 flat angles C4'-P-C4' energy: -48.981 flat angles P-C4'-P energy: -26.946 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -315.335161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.335161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.335161 (E_RNA) where: Base-Base interactions energy: -140.821 where: short stacking energy: -98.257 Base-Backbone interact. energy: -0.428 local terms energy: -174.086167 where: bonds (distance) C4'-P energy: -50.172 bonds (distance) P-C4' energy: -54.585 flat angles C4'-P-C4' energy: -43.857 flat angles P-C4'-P energy: -24.279 tors. eta vs tors. theta energy: -1.193 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: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1006.249630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.249630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.249630 (E_RNA) where: Base-Base interactions energy: -703.122 where: short stacking energy: -296.414 Base-Backbone interact. energy: -1.336 local terms energy: -301.791035 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -55.463 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -83.793 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: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -909.679785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.679785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.679785 (E_RNA) where: Base-Base interactions energy: -619.836 where: short stacking energy: -267.691 Base-Backbone interact. energy: -1.723 local terms energy: -288.121027 where: bonds (distance) C4'-P energy: -60.512 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -57.840 flat angles P-C4'-P energy: -31.001 tors. eta vs tors. theta energy: -75.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -869.941045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.941045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.941045 (E_RNA) where: Base-Base interactions energy: -584.355 where: short stacking energy: -263.838 Base-Backbone interact. energy: -1.392 local terms energy: -284.193984 where: bonds (distance) C4'-P energy: -53.323 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -57.514 flat angles P-C4'-P energy: -44.344 tors. eta vs tors. theta energy: -71.916 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: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -885.577189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.577189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.577189 (E_RNA) where: Base-Base interactions energy: -620.411 where: short stacking energy: -274.606 Base-Backbone interact. energy: -0.635 local terms energy: -264.531492 where: bonds (distance) C4'-P energy: -43.455 bonds (distance) P-C4' energy: -51.781 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -36.670 tors. eta vs tors. theta energy: -72.922 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: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -724.345972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.345972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.345972 (E_RNA) where: Base-Base interactions energy: -483.365 where: short stacking energy: -222.001 Base-Backbone interact. energy: -2.524 local terms energy: -238.456075 where: bonds (distance) C4'-P energy: -43.586 bonds (distance) P-C4' energy: -60.250 flat angles C4'-P-C4' energy: -54.477 flat angles P-C4'-P energy: -25.208 tors. eta vs tors. theta energy: -54.935 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -624.077808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.077808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.077808 (E_RNA) where: Base-Base interactions energy: -391.726 where: short stacking energy: -192.567 Base-Backbone interact. energy: -1.005 local terms energy: -231.347039 where: bonds (distance) C4'-P energy: -55.761 bonds (distance) P-C4' energy: -49.465 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -36.620 tors. eta vs tors. theta energy: -31.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -575.943477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.943477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.943477 (E_RNA) where: Base-Base interactions energy: -350.498 where: short stacking energy: -184.803 Base-Backbone interact. energy: -0.743 local terms energy: -224.702857 where: bonds (distance) C4'-P energy: -55.228 bonds (distance) P-C4' energy: -54.787 flat angles C4'-P-C4' energy: -50.231 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: -33.438 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: 45 Temperature: 1.250000 Total energy: -457.450568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.450568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.450568 (E_RNA) where: Base-Base interactions energy: -250.981 where: short stacking energy: -142.514 Base-Backbone interact. energy: -0.974 local terms energy: -205.495275 where: bonds (distance) C4'-P energy: -48.937 bonds (distance) P-C4' energy: -53.754 flat angles C4'-P-C4' energy: -49.015 flat angles P-C4'-P energy: -31.696 tors. eta vs tors. theta energy: -22.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -406.024017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.024017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.024017 (E_RNA) where: Base-Base interactions energy: -236.191 where: short stacking energy: -132.363 Base-Backbone interact. energy: -1.026 local terms energy: -168.806833 where: bonds (distance) C4'-P energy: -42.731 bonds (distance) P-C4' energy: -52.215 flat angles C4'-P-C4' energy: -42.367 flat angles P-C4'-P energy: -14.693 tors. eta vs tors. theta energy: -16.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -333.144513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.144513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.144513 (E_RNA) where: Base-Base interactions energy: -162.640 where: short stacking energy: -104.206 Base-Backbone interact. energy: -1.140 local terms energy: -169.364335 where: bonds (distance) C4'-P energy: -44.480 bonds (distance) P-C4' energy: -59.794 flat angles C4'-P-C4' energy: -40.590 flat angles P-C4'-P energy: -28.366 tors. eta vs tors. theta energy: 3.866 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: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1021.938393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.938393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.938393 (E_RNA) where: Base-Base interactions energy: -705.253 where: short stacking energy: -289.951 Base-Backbone interact. energy: 0.646 local terms energy: -317.330660 where: bonds (distance) C4'-P energy: -61.156 bonds (distance) P-C4' energy: -64.758 flat angles C4'-P-C4' energy: -60.947 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -84.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -887.921665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.921665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.921665 (E_RNA) where: Base-Base interactions energy: -618.827 where: short stacking energy: -272.578 Base-Backbone interact. energy: -0.722 local terms energy: -268.373048 where: bonds (distance) C4'-P energy: -54.412 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -61.932 flat angles P-C4'-P energy: -26.249 tors. eta vs tors. theta energy: -70.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -897.101679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.101679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.101679 (E_RNA) where: Base-Base interactions energy: -611.481 where: short stacking energy: -263.482 Base-Backbone interact. energy: -1.655 local terms energy: -283.966347 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -61.164 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -66.802 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: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -852.704477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.704477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.704477 (E_RNA) where: Base-Base interactions energy: -596.685 where: short stacking energy: -265.037 Base-Backbone interact. energy: -2.068 local terms energy: -253.951291 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -47.176 flat angles C4'-P-C4' energy: -60.880 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: -60.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -730.649656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.649656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.649656 (E_RNA) where: Base-Base interactions energy: -472.772 where: short stacking energy: -203.573 Base-Backbone interact. energy: -1.899 local terms energy: -255.978967 where: bonds (distance) C4'-P energy: -62.763 bonds (distance) P-C4' energy: -56.307 flat angles C4'-P-C4' energy: -46.898 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -52.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -630.414080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.414080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.414080 (E_RNA) where: Base-Base interactions energy: -420.555 where: short stacking energy: -186.224 Base-Backbone interact. energy: -1.802 local terms energy: -208.057108 where: bonds (distance) C4'-P energy: -42.850 bonds (distance) P-C4' energy: -48.675 flat angles C4'-P-C4' energy: -49.214 flat angles P-C4'-P energy: -26.212 tors. eta vs tors. theta energy: -41.107 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: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -555.880303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.880303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.880303 (E_RNA) where: Base-Base interactions energy: -360.843 where: short stacking energy: -170.543 Base-Backbone interact. energy: 2.434 local terms energy: -197.472178 where: bonds (distance) C4'-P energy: -39.132 bonds (distance) P-C4' energy: -40.310 flat angles C4'-P-C4' energy: -52.366 flat angles P-C4'-P energy: -32.993 tors. eta vs tors. theta energy: -32.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -484.149697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.149697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.149697 (E_RNA) where: Base-Base interactions energy: -271.265 where: short stacking energy: -146.134 Base-Backbone interact. energy: -0.315 local terms energy: -212.569369 where: bonds (distance) C4'-P energy: -51.236 bonds (distance) P-C4' energy: -43.513 flat angles C4'-P-C4' energy: -50.734 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -35.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -419.760626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.760626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.760626 (E_RNA) where: Base-Base interactions energy: -230.421 where: short stacking energy: -107.843 Base-Backbone interact. energy: 1.436 local terms energy: -190.775640 where: bonds (distance) C4'-P energy: -41.750 bonds (distance) P-C4' energy: -63.429 flat angles C4'-P-C4' energy: -41.400 flat angles P-C4'-P energy: -33.960 tors. eta vs tors. theta energy: -10.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -335.920712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.920712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.920712 (E_RNA) where: Base-Base interactions energy: -180.317 where: short stacking energy: -109.587 Base-Backbone interact. energy: -0.590 local terms energy: -155.014389 where: bonds (distance) C4'-P energy: -41.462 bonds (distance) P-C4' energy: -41.981 flat angles C4'-P-C4' energy: -36.320 flat angles P-C4'-P energy: -29.010 tors. eta vs tors. theta energy: -6.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1033.038949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.038949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.038949 (E_RNA) where: Base-Base interactions energy: -721.248 where: short stacking energy: -276.211 Base-Backbone interact. energy: -0.818 local terms energy: -310.973003 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: -74.510 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: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -928.266626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.266626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.266626 (E_RNA) where: Base-Base interactions energy: -640.831 where: short stacking energy: -271.052 Base-Backbone interact. energy: 1.233 local terms energy: -288.668547 where: bonds (distance) C4'-P energy: -48.773 bonds (distance) P-C4' energy: -60.050 flat angles C4'-P-C4' energy: -64.083 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -72.958 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: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -890.720754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.720754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.720754 (E_RNA) where: Base-Base interactions energy: -608.962 where: short stacking energy: -273.141 Base-Backbone interact. energy: -0.865 local terms energy: -280.893795 where: bonds (distance) C4'-P energy: -59.701 bonds (distance) P-C4' energy: -47.799 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -32.629 tors. eta vs tors. theta energy: -69.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -841.432312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.432312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.432312 (E_RNA) where: Base-Base interactions energy: -559.345 where: short stacking energy: -238.300 Base-Backbone interact. energy: -2.669 local terms energy: -279.418925 where: bonds (distance) C4'-P energy: -55.214 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -61.934 flat angles P-C4'-P energy: -34.520 tors. eta vs tors. theta energy: -62.493 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: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -745.223594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.223594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.223594 (E_RNA) where: Base-Base interactions energy: -511.867 where: short stacking energy: -230.088 Base-Backbone interact. energy: 0.150 local terms energy: -233.507300 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -47.852 flat angles C4'-P-C4' energy: -45.740 flat angles P-C4'-P energy: -32.663 tors. eta vs tors. theta energy: -46.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -652.492636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.492636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.492636 (E_RNA) where: Base-Base interactions energy: -417.529 where: short stacking energy: -188.445 Base-Backbone interact. energy: -0.913 local terms energy: -234.050588 where: bonds (distance) C4'-P energy: -45.489 bonds (distance) P-C4' energy: -50.560 flat angles C4'-P-C4' energy: -54.773 flat angles P-C4'-P energy: -32.611 tors. eta vs tors. theta energy: -50.618 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: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -594.685851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.685851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.685851 (E_RNA) where: Base-Base interactions energy: -383.186 where: short stacking energy: -192.595 Base-Backbone interact. energy: 0.533 local terms energy: -212.032743 where: bonds (distance) C4'-P energy: -46.453 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -43.425 flat angles P-C4'-P energy: -28.351 tors. eta vs tors. theta energy: -36.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -467.552361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.552361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.552361 (E_RNA) where: Base-Base interactions energy: -275.904 where: short stacking energy: -165.677 Base-Backbone interact. energy: 3.938 local terms energy: -195.585514 where: bonds (distance) C4'-P energy: -35.351 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -49.213 flat angles P-C4'-P energy: -22.387 tors. eta vs tors. theta energy: -35.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -462.938762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.938762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.938762 (E_RNA) where: Base-Base interactions energy: -269.099 where: short stacking energy: -131.426 Base-Backbone interact. energy: -0.393 local terms energy: -193.447110 where: bonds (distance) C4'-P energy: -44.949 bonds (distance) P-C4' energy: -50.920 flat angles C4'-P-C4' energy: -49.799 flat angles P-C4'-P energy: -36.023 tors. eta vs tors. theta energy: -11.756 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: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -330.986286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.986286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.986286 (E_RNA) where: Base-Base interactions energy: -188.560 where: short stacking energy: -99.541 Base-Backbone interact. energy: 0.821 local terms energy: -143.247696 where: bonds (distance) C4'-P energy: -42.162 bonds (distance) P-C4' energy: -43.501 flat angles C4'-P-C4' energy: -30.154 flat angles P-C4'-P energy: -28.990 tors. eta vs tors. theta energy: 1.560 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: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1031.274787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.274787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.274787 (E_RNA) where: Base-Base interactions energy: -713.165 where: short stacking energy: -303.638 Base-Backbone interact. energy: -1.730 local terms energy: -316.379970 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -57.250 flat angles C4'-P-C4' energy: -67.186 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -86.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -930.038707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.038707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.038707 (E_RNA) where: Base-Base interactions energy: -631.778 where: short stacking energy: -284.487 Base-Backbone interact. energy: -0.418 local terms energy: -297.841924 where: bonds (distance) C4'-P energy: -48.903 bonds (distance) P-C4' energy: -59.583 flat angles C4'-P-C4' energy: -62.226 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -89.513 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: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -881.242450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.242450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.242450 (E_RNA) where: Base-Base interactions energy: -608.107 where: short stacking energy: -270.288 Base-Backbone interact. energy: -1.693 local terms energy: -271.442779 where: bonds (distance) C4'-P energy: -50.391 bonds (distance) P-C4' energy: -57.697 flat angles C4'-P-C4' energy: -65.413 flat angles P-C4'-P energy: -30.604 tors. eta vs tors. theta energy: -67.338 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: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -854.943308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.943308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.943308 (E_RNA) where: Base-Base interactions energy: -591.889 where: short stacking energy: -252.770 Base-Backbone interact. energy: -0.377 local terms energy: -262.678032 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -56.133 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -33.779 tors. eta vs tors. theta energy: -54.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -723.759099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.759099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.759099 (E_RNA) where: Base-Base interactions energy: -481.144 where: short stacking energy: -209.919 Base-Backbone interact. energy: -1.592 local terms energy: -241.022768 where: bonds (distance) C4'-P energy: -63.312 bonds (distance) P-C4' energy: -50.435 flat angles C4'-P-C4' energy: -51.256 flat angles P-C4'-P energy: -32.449 tors. eta vs tors. theta energy: -43.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -617.417893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.417893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.417893 (E_RNA) where: Base-Base interactions energy: -380.278 where: short stacking energy: -175.512 Base-Backbone interact. energy: -1.538 local terms energy: -235.601540 where: bonds (distance) C4'-P energy: -49.661 bonds (distance) P-C4' energy: -54.603 flat angles C4'-P-C4' energy: -55.178 flat angles P-C4'-P energy: -40.405 tors. eta vs tors. theta energy: -35.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -577.459336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.459336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.459336 (E_RNA) where: Base-Base interactions energy: -369.315 where: short stacking energy: -156.809 Base-Backbone interact. energy: -0.782 local terms energy: -207.362496 where: bonds (distance) C4'-P energy: -43.252 bonds (distance) P-C4' energy: -55.600 flat angles C4'-P-C4' energy: -46.191 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -28.743 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: 48 Temperature: 1.250000 Total energy: -473.970450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.970450 (E_RNA) where: Base-Base interactions energy: -255.948 where: short stacking energy: -134.551 Base-Backbone interact. energy: 0.025 local terms energy: -218.047439 where: bonds (distance) C4'-P energy: -55.632 bonds (distance) P-C4' energy: -46.750 flat angles C4'-P-C4' energy: -51.213 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: -31.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -431.448883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.448883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.448883 (E_RNA) where: Base-Base interactions energy: -236.596 where: short stacking energy: -131.617 Base-Backbone interact. energy: -0.027 local terms energy: -194.826095 where: bonds (distance) C4'-P energy: -41.375 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -36.443 flat angles P-C4'-P energy: -33.051 tors. eta vs tors. theta energy: -27.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -400.838969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.838969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.838969 (E_RNA) where: Base-Base interactions energy: -214.387 where: short stacking energy: -106.652 Base-Backbone interact. energy: 1.885 local terms energy: -188.336888 where: bonds (distance) C4'-P energy: -50.646 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -37.381 flat angles P-C4'-P energy: -34.365 tors. eta vs tors. theta energy: -10.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1026.926676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.926676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.926676 (E_RNA) where: Base-Base interactions energy: -702.644 where: short stacking energy: -291.816 Base-Backbone interact. energy: -1.145 local terms energy: -323.138166 where: bonds (distance) C4'-P energy: -62.742 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -68.780 flat angles P-C4'-P energy: -44.216 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: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -931.344034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.344034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.344034 (E_RNA) where: Base-Base interactions energy: -636.756 where: short stacking energy: -270.510 Base-Backbone interact. energy: -2.390 local terms energy: -292.198006 where: bonds (distance) C4'-P energy: -55.666 bonds (distance) P-C4' energy: -58.766 flat angles C4'-P-C4' energy: -67.393 flat angles P-C4'-P energy: -29.373 tors. eta vs tors. theta energy: -81.000 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: 3, replica: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -877.110420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.110420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.110420 (E_RNA) where: Base-Base interactions energy: -592.905 where: short stacking energy: -261.329 Base-Backbone interact. energy: 1.511 local terms energy: -285.716038 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -57.701 flat angles P-C4'-P energy: -40.283 tors. eta vs tors. theta energy: -68.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -830.641919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.641919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.641919 (E_RNA) where: Base-Base interactions energy: -571.523 where: short stacking energy: -254.452 Base-Backbone interact. energy: -0.072 local terms energy: -259.047160 where: bonds (distance) C4'-P energy: -47.389 bonds (distance) P-C4' energy: -59.841 flat angles C4'-P-C4' energy: -56.024 flat angles P-C4'-P energy: -35.766 tors. eta vs tors. theta energy: -60.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -724.022535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.022535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.022535 (E_RNA) where: Base-Base interactions energy: -477.958 where: short stacking energy: -200.766 Base-Backbone interact. energy: -1.726 local terms energy: -244.339014 where: bonds (distance) C4'-P energy: -48.363 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -53.145 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -50.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -628.797182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.797182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.797182 (E_RNA) where: Base-Base interactions energy: -411.055 where: short stacking energy: -192.784 Base-Backbone interact. energy: 1.164 local terms energy: -218.906619 where: bonds (distance) C4'-P energy: -39.061 bonds (distance) P-C4' energy: -48.053 flat angles C4'-P-C4' energy: -54.760 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -39.779 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: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -596.002361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.002361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.002361 (E_RNA) where: Base-Base interactions energy: -386.191 where: short stacking energy: -176.737 Base-Backbone interact. energy: 1.337 local terms energy: -211.147845 where: bonds (distance) C4'-P energy: -46.592 bonds (distance) P-C4' energy: -52.899 flat angles C4'-P-C4' energy: -48.890 flat angles P-C4'-P energy: -35.070 tors. eta vs tors. theta energy: -27.698 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: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -439.373511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.373511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.373511 (E_RNA) where: Base-Base interactions energy: -258.108 where: short stacking energy: -137.069 Base-Backbone interact. energy: -0.062 local terms energy: -181.203516 where: bonds (distance) C4'-P energy: -44.166 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -50.350 flat angles P-C4'-P energy: -14.401 tors. eta vs tors. theta energy: -15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -409.749893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.749893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.749893 (E_RNA) where: Base-Base interactions energy: -216.504 where: short stacking energy: -117.830 Base-Backbone interact. energy: 0.303 local terms energy: -193.548570 where: bonds (distance) C4'-P energy: -44.943 bonds (distance) P-C4' energy: -45.656 flat angles C4'-P-C4' energy: -50.138 flat angles P-C4'-P energy: -37.735 tors. eta vs tors. theta energy: -15.077 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -352.831993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.831993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.831993 (E_RNA) where: Base-Base interactions energy: -195.641 where: short stacking energy: -111.636 Base-Backbone interact. energy: 8.795 local terms energy: -165.986589 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -39.859 flat angles C4'-P-C4' energy: -38.958 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1027.904164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.904164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.904164 (E_RNA) where: Base-Base interactions energy: -703.612 where: short stacking energy: -286.126 Base-Backbone interact. energy: -0.704 local terms energy: -323.587983 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: -84.628 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: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -952.290367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.290367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.290367 (E_RNA) where: Base-Base interactions energy: -640.601 where: short stacking energy: -285.079 Base-Backbone interact. energy: 2.275 local terms energy: -313.964393 where: bonds (distance) C4'-P energy: -54.421 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -72.424 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -82.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -865.022600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.022600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.022600 (E_RNA) where: Base-Base interactions energy: -606.397 where: short stacking energy: -267.286 Base-Backbone interact. energy: -0.631 local terms energy: -257.995187 where: bonds (distance) C4'-P energy: -49.637 bonds (distance) P-C4' energy: -49.502 flat angles C4'-P-C4' energy: -48.889 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -63.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -836.463588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.463588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.463588 (E_RNA) where: Base-Base interactions energy: -569.038 where: short stacking energy: -260.255 Base-Backbone interact. energy: -0.115 local terms energy: -267.310294 where: bonds (distance) C4'-P energy: -47.734 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -68.761 flat angles P-C4'-P energy: -31.633 tors. eta vs tors. theta energy: -63.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -770.793725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.793725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.793725 (E_RNA) where: Base-Base interactions energy: -513.289 where: short stacking energy: -223.929 Base-Backbone interact. energy: -1.371 local terms energy: -256.134512 where: bonds (distance) C4'-P energy: -49.504 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -59.069 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: -53.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -614.811638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.811638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.811638 (E_RNA) where: Base-Base interactions energy: -382.810 where: short stacking energy: -179.419 Base-Backbone interact. energy: 1.118 local terms energy: -233.119826 where: bonds (distance) C4'-P energy: -52.401 bonds (distance) P-C4' energy: -52.806 flat angles C4'-P-C4' energy: -49.949 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -40.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -584.484742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.484742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.484742 (E_RNA) where: Base-Base interactions energy: -368.812 where: short stacking energy: -176.235 Base-Backbone interact. energy: 0.892 local terms energy: -216.565485 where: bonds (distance) C4'-P energy: -42.132 bonds (distance) P-C4' energy: -46.423 flat angles C4'-P-C4' energy: -43.804 flat angles P-C4'-P energy: -43.751 tors. eta vs tors. theta energy: -40.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -446.648285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.648285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.648285 (E_RNA) where: Base-Base interactions energy: -262.852 where: short stacking energy: -149.560 Base-Backbone interact. energy: 2.569 local terms energy: -186.365749 where: bonds (distance) C4'-P energy: -49.465 bonds (distance) P-C4' energy: -49.185 flat angles C4'-P-C4' energy: -47.905 flat angles P-C4'-P energy: -22.685 tors. eta vs tors. theta energy: -17.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -407.576810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.576810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.576810 (E_RNA) where: Base-Base interactions energy: -225.257 where: short stacking energy: -134.091 Base-Backbone interact. energy: 0.222 local terms energy: -182.541621 where: bonds (distance) C4'-P energy: -38.267 bonds (distance) P-C4' energy: -54.649 flat angles C4'-P-C4' energy: -41.207 flat angles P-C4'-P energy: -35.925 tors. eta vs tors. theta energy: -12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -418.162657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.162657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.162657 (E_RNA) where: Base-Base interactions energy: -217.618 where: short stacking energy: -112.919 Base-Backbone interact. energy: -2.266 local terms energy: -198.278225 where: bonds (distance) C4'-P energy: -40.025 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -51.349 flat angles P-C4'-P energy: -32.687 tors. eta vs tors. theta energy: -16.297 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: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1013.910228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.910228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.910228 (E_RNA) where: Base-Base interactions energy: -701.392 where: short stacking energy: -280.795 Base-Backbone interact. energy: -1.532 local terms energy: -310.986553 where: bonds (distance) C4'-P energy: -53.159 bonds (distance) P-C4' energy: -57.351 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -46.120 tors. eta vs tors. theta energy: -85.641 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: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -931.627078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.627078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.627078 (E_RNA) where: Base-Base interactions energy: -635.986 where: short stacking energy: -290.619 Base-Backbone interact. energy: -0.084 local terms energy: -295.557145 where: bonds (distance) C4'-P energy: -52.859 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -57.463 flat angles P-C4'-P energy: -42.814 tors. eta vs tors. theta energy: -76.554 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: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -859.158924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.158924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.158924 (E_RNA) where: Base-Base interactions energy: -588.622 where: short stacking energy: -272.191 Base-Backbone interact. energy: 1.776 local terms energy: -272.312795 where: bonds (distance) C4'-P energy: -52.332 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -58.742 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -65.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -796.419834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.419834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.419834 (E_RNA) where: Base-Base interactions energy: -540.554 where: short stacking energy: -214.878 Base-Backbone interact. energy: -0.659 local terms energy: -255.206711 where: bonds (distance) C4'-P energy: -57.977 bonds (distance) P-C4' energy: -58.922 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -30.035 tors. eta vs tors. theta energy: -51.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -799.773917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.773917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.773917 (E_RNA) where: Base-Base interactions energy: -551.560 where: short stacking energy: -239.946 Base-Backbone interact. energy: -0.453 local terms energy: -247.760788 where: bonds (distance) C4'-P energy: -44.551 bonds (distance) P-C4' energy: -59.040 flat angles C4'-P-C4' energy: -50.160 flat angles P-C4'-P energy: -40.180 tors. eta vs tors. theta energy: -53.830 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -621.674854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.674854 (E_RNA) where: Base-Base interactions energy: -385.855 where: short stacking energy: -188.956 Base-Backbone interact. energy: -2.573 local terms energy: -233.246977 where: bonds (distance) C4'-P energy: -48.897 bonds (distance) P-C4' energy: -61.323 flat angles C4'-P-C4' energy: -52.700 flat angles P-C4'-P energy: -31.489 tors. eta vs tors. theta energy: -38.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -595.764521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.764521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.764521 (E_RNA) where: Base-Base interactions energy: -380.746 where: short stacking energy: -178.607 Base-Backbone interact. energy: 1.505 local terms energy: -216.523449 where: bonds (distance) C4'-P energy: -39.298 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -47.436 flat angles P-C4'-P energy: -30.120 tors. eta vs tors. theta energy: -38.378 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: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -500.305679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.305679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.305679 (E_RNA) where: Base-Base interactions energy: -306.141 where: short stacking energy: -162.196 Base-Backbone interact. energy: -2.839 local terms energy: -191.325515 where: bonds (distance) C4'-P energy: -51.352 bonds (distance) P-C4' energy: -46.059 flat angles C4'-P-C4' energy: -41.466 flat angles P-C4'-P energy: -27.923 tors. eta vs tors. theta energy: -24.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -393.155512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.155512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.155512 (E_RNA) where: Base-Base interactions energy: -216.680 where: short stacking energy: -132.590 Base-Backbone interact. energy: 0.360 local terms energy: -176.836028 where: bonds (distance) C4'-P energy: -43.222 bonds (distance) P-C4' energy: -46.248 flat angles C4'-P-C4' energy: -44.711 flat angles P-C4'-P energy: -30.608 tors. eta vs tors. theta energy: -12.048 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: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -376.077633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.077633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.077633 (E_RNA) where: Base-Base interactions energy: -225.399 where: short stacking energy: -105.088 Base-Backbone interact. energy: -0.331 local terms energy: -150.348384 where: bonds (distance) C4'-P energy: -50.576 bonds (distance) P-C4' energy: -35.660 flat angles C4'-P-C4' energy: -41.177 flat angles P-C4'-P energy: -27.277 tors. eta vs tors. theta energy: 4.341 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: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1028.909134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.909134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.909134 (E_RNA) where: Base-Base interactions energy: -717.846 where: short stacking energy: -297.128 Base-Backbone interact. energy: -3.176 local terms energy: -307.887037 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -68.985 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -83.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -944.823223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.823223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.823223 (E_RNA) where: Base-Base interactions energy: -655.248 where: short stacking energy: -290.889 Base-Backbone interact. energy: -0.622 local terms energy: -288.952502 where: bonds (distance) C4'-P energy: -54.604 bonds (distance) P-C4' energy: -48.635 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -76.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -864.050927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.050927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.050927 (E_RNA) where: Base-Base interactions energy: -589.199 where: short stacking energy: -257.863 Base-Backbone interact. energy: -0.874 local terms energy: -273.977496 where: bonds (distance) C4'-P energy: -60.147 bonds (distance) P-C4' energy: -53.898 flat angles C4'-P-C4' energy: -60.871 flat angles P-C4'-P energy: -34.269 tors. eta vs tors. theta energy: -64.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -792.919890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.919890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.919890 (E_RNA) where: Base-Base interactions energy: -541.031 where: short stacking energy: -232.930 Base-Backbone interact. energy: -0.200 local terms energy: -251.688737 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -51.757 flat angles P-C4'-P energy: -29.333 tors. eta vs tors. theta energy: -52.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -778.666451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.666451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.666451 (E_RNA) where: Base-Base interactions energy: -527.029 where: short stacking energy: -230.218 Base-Backbone interact. energy: -0.862 local terms energy: -250.775912 where: bonds (distance) C4'-P energy: -46.890 bonds (distance) P-C4' energy: -53.813 flat angles C4'-P-C4' energy: -54.286 flat angles P-C4'-P energy: -28.036 tors. eta vs tors. theta energy: -67.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -655.269555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.269555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.269555 (E_RNA) where: Base-Base interactions energy: -395.270 where: short stacking energy: -211.175 Base-Backbone interact. energy: -0.993 local terms energy: -259.006277 where: bonds (distance) C4'-P energy: -53.564 bonds (distance) P-C4' energy: -52.357 flat angles C4'-P-C4' energy: -58.738 flat angles P-C4'-P energy: -35.483 tors. eta vs tors. theta energy: -58.864 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: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -612.451729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.451729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.451729 (E_RNA) where: Base-Base interactions energy: -386.300 where: short stacking energy: -184.853 Base-Backbone interact. energy: 1.175 local terms energy: -227.326456 where: bonds (distance) C4'-P energy: -52.093 bonds (distance) P-C4' energy: -45.353 flat angles C4'-P-C4' energy: -56.138 flat angles P-C4'-P energy: -36.956 tors. eta vs tors. theta energy: -36.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -438.837178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.837178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.837178 (E_RNA) where: Base-Base interactions energy: -249.107 where: short stacking energy: -144.972 Base-Backbone interact. energy: -0.094 local terms energy: -189.636136 where: bonds (distance) C4'-P energy: -47.242 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -39.224 flat angles P-C4'-P energy: -26.201 tors. eta vs tors. theta energy: -19.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -380.128518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.128518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.128518 (E_RNA) where: Base-Base interactions energy: -216.738 where: short stacking energy: -97.481 Base-Backbone interact. energy: -2.351 local terms energy: -161.039552 where: bonds (distance) C4'-P energy: -44.316 bonds (distance) P-C4' energy: -43.778 flat angles C4'-P-C4' energy: -40.645 flat angles P-C4'-P energy: -26.257 tors. eta vs tors. theta energy: -6.044 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: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -336.191440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.191440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.191440 (E_RNA) where: Base-Base interactions energy: -168.791 where: short stacking energy: -95.125 Base-Backbone interact. energy: 2.993 local terms energy: -170.393343 where: bonds (distance) C4'-P energy: -50.338 bonds (distance) P-C4' energy: -56.942 flat angles C4'-P-C4' energy: -35.204 flat angles P-C4'-P energy: -26.217 tors. eta vs tors. theta energy: -1.693 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: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1042.783631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.783631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.783631 (E_RNA) where: Base-Base interactions energy: -732.680 where: short stacking energy: -290.068 Base-Backbone interact. energy: -2.668 local terms energy: -307.434969 where: bonds (distance) C4'-P energy: -61.276 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -42.070 tors. eta vs tors. theta energy: -84.705 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: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -899.422123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.422123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.422123 (E_RNA) where: Base-Base interactions energy: -606.130 where: short stacking energy: -274.094 Base-Backbone interact. energy: -1.708 local terms energy: -291.583692 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -56.851 flat angles C4'-P-C4' energy: -60.996 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -69.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -904.801578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.801578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.801578 (E_RNA) where: Base-Base interactions energy: -621.807 where: short stacking energy: -267.709 Base-Backbone interact. energy: -1.233 local terms energy: -281.761518 where: bonds (distance) C4'-P energy: -61.240 bonds (distance) P-C4' energy: -50.792 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -35.875 tors. eta vs tors. theta energy: -72.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -793.425103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.425103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.425103 (E_RNA) where: Base-Base interactions energy: -539.980 where: short stacking energy: -232.872 Base-Backbone interact. energy: -2.272 local terms energy: -251.173311 where: bonds (distance) C4'-P energy: -57.289 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -56.804 flat angles P-C4'-P energy: -25.959 tors. eta vs tors. theta energy: -45.951 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: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -793.197667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.197667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.197667 (E_RNA) where: Base-Base interactions energy: -519.290 where: short stacking energy: -233.952 Base-Backbone interact. energy: -0.440 local terms energy: -273.466988 where: bonds (distance) C4'-P energy: -51.542 bonds (distance) P-C4' energy: -58.241 flat angles C4'-P-C4' energy: -59.518 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -61.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -684.009816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.009816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.009816 (E_RNA) where: Base-Base interactions energy: -442.141 where: short stacking energy: -224.525 Base-Backbone interact. energy: -0.709 local terms energy: -241.160092 where: bonds (distance) C4'-P energy: -54.288 bonds (distance) P-C4' energy: -53.067 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -30.520 tors. eta vs tors. theta energy: -48.807 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: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -637.651015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.651015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.651015 (E_RNA) where: Base-Base interactions energy: -414.740 where: short stacking energy: -207.268 Base-Backbone interact. energy: -0.324 local terms energy: -222.586552 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -51.601 flat angles C4'-P-C4' energy: -45.622 flat angles P-C4'-P energy: -35.027 tors. eta vs tors. theta energy: -38.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -429.480146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.480146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.480146 (E_RNA) where: Base-Base interactions energy: -227.064 where: short stacking energy: -131.750 Base-Backbone interact. energy: -0.838 local terms energy: -201.578131 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -54.243 flat angles C4'-P-C4' energy: -45.487 flat angles P-C4'-P energy: -26.681 tors. eta vs tors. theta energy: -26.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -395.766781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.766781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.766781 (E_RNA) where: Base-Base interactions energy: -214.147 where: short stacking energy: -117.368 Base-Backbone interact. energy: -0.464 local terms energy: -181.155554 where: bonds (distance) C4'-P energy: -52.156 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -46.901 flat angles P-C4'-P energy: -20.672 tors. eta vs tors. theta energy: -9.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -347.019015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.019015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.019015 (E_RNA) where: Base-Base interactions energy: -193.905 where: short stacking energy: -95.818 Base-Backbone interact. energy: -1.990 local terms energy: -151.124553 where: bonds (distance) C4'-P energy: -43.170 bonds (distance) P-C4' energy: -49.592 flat angles C4'-P-C4' energy: -37.509 flat angles P-C4'-P energy: -20.545 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1016.526363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.526363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.526363 (E_RNA) where: Base-Base interactions energy: -716.360 where: short stacking energy: -305.349 Base-Backbone interact. energy: -0.820 local terms energy: -299.345859 where: bonds (distance) C4'-P energy: -64.096 bonds (distance) P-C4' energy: -46.962 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -84.965 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: 54 Temperature: 0.950000 Total energy: -878.293233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.293233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.293233 (E_RNA) where: Base-Base interactions energy: -607.272 where: short stacking energy: -269.079 Base-Backbone interact. energy: 1.409 local terms energy: -272.430476 where: bonds (distance) C4'-P energy: -48.406 bonds (distance) P-C4' energy: -46.060 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -70.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -942.590344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.590344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.590344 (E_RNA) where: Base-Base interactions energy: -641.877 where: short stacking energy: -292.224 Base-Backbone interact. energy: -1.659 local terms energy: -299.054623 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -54.914 flat angles C4'-P-C4' energy: -68.215 flat angles P-C4'-P energy: -34.170 tors. eta vs tors. theta energy: -80.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -802.867749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.867749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.867749 (E_RNA) where: Base-Base interactions energy: -547.615 where: short stacking energy: -227.372 Base-Backbone interact. energy: -2.635 local terms energy: -252.618313 where: bonds (distance) C4'-P energy: -49.468 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -63.808 flat angles P-C4'-P energy: -35.278 tors. eta vs tors. theta energy: -48.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -781.914181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.914181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.914181 (E_RNA) where: Base-Base interactions energy: -523.037 where: short stacking energy: -236.763 Base-Backbone interact. energy: -0.156 local terms energy: -258.721160 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -50.106 flat angles C4'-P-C4' energy: -55.127 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: -68.077 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: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -641.297058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.297058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.297058 (E_RNA) where: Base-Base interactions energy: -410.337 where: short stacking energy: -194.844 Base-Backbone interact. energy: -0.491 local terms energy: -230.469089 where: bonds (distance) C4'-P energy: -46.386 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -55.800 flat angles P-C4'-P energy: -30.827 tors. eta vs tors. theta energy: -38.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -609.426108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.426108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.426108 (E_RNA) where: Base-Base interactions energy: -411.255 where: short stacking energy: -173.857 Base-Backbone interact. energy: -0.620 local terms energy: -197.551433 where: bonds (distance) C4'-P energy: -43.231 bonds (distance) P-C4' energy: -47.506 flat angles C4'-P-C4' energy: -46.120 flat angles P-C4'-P energy: -23.702 tors. eta vs tors. theta energy: -36.992 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: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -454.445054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.445054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.445054 (E_RNA) where: Base-Base interactions energy: -245.070 where: short stacking energy: -141.889 Base-Backbone interact. energy: -2.071 local terms energy: -207.304223 where: bonds (distance) C4'-P energy: -40.763 bonds (distance) P-C4' energy: -54.689 flat angles C4'-P-C4' energy: -45.215 flat angles P-C4'-P energy: -33.536 tors. eta vs tors. theta energy: -33.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -412.092529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.092529 (E_RNA) where: Base-Base interactions energy: -238.202 where: short stacking energy: -130.848 Base-Backbone interact. energy: -0.316 local terms energy: -173.574918 where: bonds (distance) C4'-P energy: -41.247 bonds (distance) P-C4' energy: -46.173 flat angles C4'-P-C4' energy: -38.040 flat angles P-C4'-P energy: -32.199 tors. eta vs tors. theta energy: -15.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -352.724942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.724942 (E_RNA) where: Base-Base interactions energy: -184.649 where: short stacking energy: -97.591 Base-Backbone interact. energy: 0.014 local terms energy: -168.089977 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -47.164 flat angles C4'-P-C4' energy: -42.674 flat angles P-C4'-P energy: -18.690 tors. eta vs tors. theta energy: -3.722 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: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1014.288219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.288219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.288219 (E_RNA) where: Base-Base interactions energy: -705.929 where: short stacking energy: -289.522 Base-Backbone interact. energy: -2.589 local terms energy: -305.770730 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -65.411 flat angles P-C4'-P energy: -39.382 tors. eta vs tors. theta energy: -79.448 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: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -941.814324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.814324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.814324 (E_RNA) where: Base-Base interactions energy: -634.320 where: short stacking energy: -267.431 Base-Backbone interact. energy: -0.261 local terms energy: -307.233923 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -65.217 flat angles C4'-P-C4' energy: -65.060 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -79.682 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: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -854.104186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.104186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.104186 (E_RNA) where: Base-Base interactions energy: -574.578 where: short stacking energy: -258.656 Base-Backbone interact. energy: -2.401 local terms energy: -277.124758 where: bonds (distance) C4'-P energy: -56.409 bonds (distance) P-C4' energy: -57.539 flat angles C4'-P-C4' energy: -62.110 flat angles P-C4'-P energy: -32.858 tors. eta vs tors. theta energy: -68.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -821.059423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.059423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.059423 (E_RNA) where: Base-Base interactions energy: -564.812 where: short stacking energy: -232.411 Base-Backbone interact. energy: -1.164 local terms energy: -255.083041 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -53.420 flat angles C4'-P-C4' energy: -48.201 flat angles P-C4'-P energy: -36.867 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: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -774.261887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.261887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.261887 (E_RNA) where: Base-Base interactions energy: -517.945 where: short stacking energy: -218.889 Base-Backbone interact. energy: -0.432 local terms energy: -255.885044 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -51.982 flat angles C4'-P-C4' energy: -56.120 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -46.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -695.693766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.693766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.693766 (E_RNA) where: Base-Base interactions energy: -453.851 where: short stacking energy: -211.225 Base-Backbone interact. energy: -0.354 local terms energy: -241.488806 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -52.469 flat angles C4'-P-C4' energy: -48.214 flat angles P-C4'-P energy: -29.226 tors. eta vs tors. theta energy: -53.295 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: 2 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -586.264814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.264814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.264814 (E_RNA) where: Base-Base interactions energy: -396.537 where: short stacking energy: -181.461 Base-Backbone interact. energy: 2.046 local terms energy: -191.773724 where: bonds (distance) C4'-P energy: -42.876 bonds (distance) P-C4' energy: -44.285 flat angles C4'-P-C4' energy: -51.542 flat angles P-C4'-P energy: -24.052 tors. eta vs tors. theta energy: -29.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -453.797358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.797358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.797358 (E_RNA) where: Base-Base interactions energy: -272.872 where: short stacking energy: -132.730 Base-Backbone interact. energy: -2.103 local terms energy: -178.822461 where: bonds (distance) C4'-P energy: -49.819 bonds (distance) P-C4' energy: -35.533 flat angles C4'-P-C4' energy: -46.973 flat angles P-C4'-P energy: -29.222 tors. eta vs tors. theta energy: -17.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -391.730055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.730055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.730055 (E_RNA) where: Base-Base interactions energy: -190.612 where: short stacking energy: -108.302 Base-Backbone interact. energy: -1.483 local terms energy: -199.635778 where: bonds (distance) C4'-P energy: -47.330 bonds (distance) P-C4' energy: -48.179 flat angles C4'-P-C4' energy: -42.509 flat angles P-C4'-P energy: -37.190 tors. eta vs tors. theta energy: -24.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -407.778090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.778090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.778090 (E_RNA) where: Base-Base interactions energy: -230.964 where: short stacking energy: -102.035 Base-Backbone interact. energy: -1.461 local terms energy: -175.353307 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -45.586 flat angles C4'-P-C4' energy: -34.854 flat angles P-C4'-P energy: -38.604 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1032.719482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.719482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.719482 (E_RNA) where: Base-Base interactions energy: -726.339 where: short stacking energy: -298.636 Base-Backbone interact. energy: -1.064 local terms energy: -305.316561 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -60.707 flat angles C4'-P-C4' energy: -60.619 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -86.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -933.587542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.587542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.587542 (E_RNA) where: Base-Base interactions energy: -649.768 where: short stacking energy: -270.784 Base-Backbone interact. energy: -0.786 local terms energy: -283.033803 where: bonds (distance) C4'-P energy: -53.167 bonds (distance) P-C4' energy: -57.744 flat angles C4'-P-C4' energy: -57.805 flat angles P-C4'-P energy: -37.220 tors. eta vs tors. theta energy: -77.098 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -848.859070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.859070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.859070 (E_RNA) where: Base-Base interactions energy: -571.731 where: short stacking energy: -248.972 Base-Backbone interact. energy: -0.761 local terms energy: -276.367059 where: bonds (distance) C4'-P energy: -56.255 bonds (distance) P-C4' energy: -48.143 flat angles C4'-P-C4' energy: -64.835 flat angles P-C4'-P energy: -38.230 tors. eta vs tors. theta energy: -68.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -790.390968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.390968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.390968 (E_RNA) where: Base-Base interactions energy: -532.642 where: short stacking energy: -240.209 Base-Backbone interact. energy: -1.038 local terms energy: -256.711253 where: bonds (distance) C4'-P energy: -48.134 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -56.748 flat angles P-C4'-P energy: -36.469 tors. eta vs tors. theta energy: -54.644 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -743.777022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.777022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.777022 (E_RNA) where: Base-Base interactions energy: -500.350 where: short stacking energy: -218.286 Base-Backbone interact. energy: 1.400 local terms energy: -244.826668 where: bonds (distance) C4'-P energy: -49.265 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -54.575 flat angles P-C4'-P energy: -29.704 tors. eta vs tors. theta energy: -47.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -727.426866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.426866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.426866 (E_RNA) where: Base-Base interactions energy: -490.770 where: short stacking energy: -213.627 Base-Backbone interact. energy: 1.252 local terms energy: -237.908085 where: bonds (distance) C4'-P energy: -45.496 bonds (distance) P-C4' energy: -46.741 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -37.123 tors. eta vs tors. theta energy: -47.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -578.128337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.128337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.128337 (E_RNA) where: Base-Base interactions energy: -370.492 where: short stacking energy: -189.458 Base-Backbone interact. energy: 1.302 local terms energy: -208.937684 where: bonds (distance) C4'-P energy: -45.346 bonds (distance) P-C4' energy: -51.377 flat angles C4'-P-C4' energy: -58.370 flat angles P-C4'-P energy: -23.916 tors. eta vs tors. theta energy: -29.929 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: 56 Temperature: 1.250000 Total energy: -437.612653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.612653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.612653 (E_RNA) where: Base-Base interactions energy: -261.127 where: short stacking energy: -114.020 Base-Backbone interact. energy: 0.872 local terms energy: -177.357338 where: bonds (distance) C4'-P energy: -51.242 bonds (distance) P-C4' energy: -47.014 flat angles C4'-P-C4' energy: -48.214 flat angles P-C4'-P energy: -31.281 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -400.288719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.288719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.288719 (E_RNA) where: Base-Base interactions energy: -211.220 where: short stacking energy: -106.906 Base-Backbone interact. energy: -0.550 local terms energy: -188.519357 where: bonds (distance) C4'-P energy: -47.138 bonds (distance) P-C4' energy: -48.180 flat angles C4'-P-C4' energy: -54.258 flat angles P-C4'-P energy: -20.187 tors. eta vs tors. theta energy: -18.756 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: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -343.678260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.678260 (E_RNA) where: Base-Base interactions energy: -178.806 where: short stacking energy: -105.445 Base-Backbone interact. energy: -0.162 local terms energy: -164.710216 where: bonds (distance) C4'-P energy: -43.938 bonds (distance) P-C4' energy: -44.126 flat angles C4'-P-C4' energy: -41.347 flat angles P-C4'-P energy: -23.226 tors. eta vs tors. theta energy: -12.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1029.847457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.847457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.847457 (E_RNA) where: Base-Base interactions energy: -718.255 where: short stacking energy: -297.961 Base-Backbone interact. energy: -2.198 local terms energy: -309.394603 where: bonds (distance) C4'-P energy: -61.753 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -63.478 flat angles P-C4'-P energy: -38.818 tors. eta vs tors. theta energy: -87.355 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: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -941.972735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.972735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.972735 (E_RNA) where: Base-Base interactions energy: -656.915 where: short stacking energy: -263.640 Base-Backbone interact. energy: 0.921 local terms energy: -285.979206 where: bonds (distance) C4'-P energy: -53.874 bonds (distance) P-C4' energy: -57.155 flat angles C4'-P-C4' energy: -58.079 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -71.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -868.744720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.744720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.744720 (E_RNA) where: Base-Base interactions energy: -592.481 where: short stacking energy: -250.515 Base-Backbone interact. energy: 0.362 local terms energy: -276.625672 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -57.047 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: -68.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -804.104965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.104965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.104965 (E_RNA) where: Base-Base interactions energy: -531.714 where: short stacking energy: -238.446 Base-Backbone interact. energy: 1.800 local terms energy: -274.190977 where: bonds (distance) C4'-P energy: -52.790 bonds (distance) P-C4' energy: -62.502 flat angles C4'-P-C4' energy: -58.927 flat angles P-C4'-P energy: -38.709 tors. eta vs tors. theta energy: -61.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -783.928680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.928680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.928680 (E_RNA) where: Base-Base interactions energy: -516.890 where: short stacking energy: -203.360 Base-Backbone interact. energy: 3.493 local terms energy: -270.532570 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -47.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -734.268433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.268433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.268433 (E_RNA) where: Base-Base interactions energy: -485.949 where: short stacking energy: -236.844 Base-Backbone interact. energy: 0.915 local terms energy: -249.233709 where: bonds (distance) C4'-P energy: -50.497 bonds (distance) P-C4' energy: -46.735 flat angles C4'-P-C4' energy: -57.309 flat angles P-C4'-P energy: -34.344 tors. eta vs tors. theta energy: -60.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -579.343972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.343972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.343972 (E_RNA) where: Base-Base interactions energy: -353.081 where: short stacking energy: -158.262 Base-Backbone interact. energy: -0.598 local terms energy: -225.664850 where: bonds (distance) C4'-P energy: -47.645 bonds (distance) P-C4' energy: -51.487 flat angles C4'-P-C4' energy: -52.258 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: -31.978 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: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -416.848627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.848627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.848627 (E_RNA) where: Base-Base interactions energy: -222.343 where: short stacking energy: -134.133 Base-Backbone interact. energy: -0.265 local terms energy: -194.240836 where: bonds (distance) C4'-P energy: -48.262 bonds (distance) P-C4' energy: -48.042 flat angles C4'-P-C4' energy: -50.491 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -15.352 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: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -421.888529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.888529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.888529 (E_RNA) where: Base-Base interactions energy: -232.964 where: short stacking energy: -114.378 Base-Backbone interact. energy: -0.422 local terms energy: -188.503261 where: bonds (distance) C4'-P energy: -44.527 bonds (distance) P-C4' energy: -51.326 flat angles C4'-P-C4' energy: -48.210 flat angles P-C4'-P energy: -31.043 tors. eta vs tors. theta energy: -13.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -376.223635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.223635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.223635 (E_RNA) where: Base-Base interactions energy: -188.608 where: short stacking energy: -108.708 Base-Backbone interact. energy: 1.414 local terms energy: -189.029508 where: bonds (distance) C4'-P energy: -49.277 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -37.705 flat angles P-C4'-P energy: -21.886 tors. eta vs tors. theta energy: -21.069 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1018.443888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.443888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.443888 (E_RNA) where: Base-Base interactions energy: -710.892 where: short stacking energy: -285.070 Base-Backbone interact. energy: -1.755 local terms energy: -305.797326 where: bonds (distance) C4'-P energy: -51.026 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -42.541 tors. eta vs tors. theta energy: -79.387 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: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -950.067665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.067665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.067665 (E_RNA) where: Base-Base interactions energy: -651.458 where: short stacking energy: -275.216 Base-Backbone interact. energy: -0.520 local terms energy: -298.089309 where: bonds (distance) C4'-P energy: -53.946 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -70.980 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: -72.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -889.405472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.405472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.405472 (E_RNA) where: Base-Base interactions energy: -609.881 where: short stacking energy: -261.454 Base-Backbone interact. energy: -0.231 local terms energy: -279.293027 where: bonds (distance) C4'-P energy: -48.077 bonds (distance) P-C4' energy: -51.044 flat angles C4'-P-C4' energy: -63.335 flat angles P-C4'-P energy: -36.455 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: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -818.241991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.241991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.241991 (E_RNA) where: Base-Base interactions energy: -550.560 where: short stacking energy: -234.845 Base-Backbone interact. energy: -1.445 local terms energy: -266.237056 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -48.410 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -61.393 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: 58 Temperature: 1.100000 Total energy: -804.199674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.199674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.199674 (E_RNA) where: Base-Base interactions energy: -554.664 where: short stacking energy: -229.734 Base-Backbone interact. energy: -1.380 local terms energy: -248.155662 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -57.134 flat angles C4'-P-C4' energy: -56.048 flat angles P-C4'-P energy: -23.743 tors. eta vs tors. theta energy: -58.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -728.035878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.035878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.035878 (E_RNA) where: Base-Base interactions energy: -491.306 where: short stacking energy: -203.779 Base-Backbone interact. energy: -1.453 local terms energy: -235.276617 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -51.654 flat angles C4'-P-C4' energy: -49.911 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -52.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -612.589237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.589237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.589237 (E_RNA) where: Base-Base interactions energy: -387.680 where: short stacking energy: -171.834 Base-Backbone interact. energy: -0.539 local terms energy: -224.370586 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -51.340 flat angles C4'-P-C4' energy: -47.948 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -36.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -404.860191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.860191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.860191 (E_RNA) where: Base-Base interactions energy: -210.713 where: short stacking energy: -137.111 Base-Backbone interact. energy: 1.921 local terms energy: -196.067684 where: bonds (distance) C4'-P energy: -54.397 bonds (distance) P-C4' energy: -48.953 flat angles C4'-P-C4' energy: -48.762 flat angles P-C4'-P energy: -17.843 tors. eta vs tors. theta energy: -26.113 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: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -437.689740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.689740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.689740 (E_RNA) where: Base-Base interactions energy: -239.234 where: short stacking energy: -133.343 Base-Backbone interact. energy: -1.420 local terms energy: -197.035679 where: bonds (distance) C4'-P energy: -39.180 bonds (distance) P-C4' energy: -55.378 flat angles C4'-P-C4' energy: -50.293 flat angles P-C4'-P energy: -27.879 tors. eta vs tors. theta energy: -24.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -382.472220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.472220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.472220 (E_RNA) where: Base-Base interactions energy: -188.224 where: short stacking energy: -106.950 Base-Backbone interact. energy: 1.540 local terms energy: -195.787850 where: bonds (distance) C4'-P energy: -39.232 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -49.911 flat angles P-C4'-P energy: -26.401 tors. eta vs tors. theta energy: -14.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1012.827447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.827447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.827447 (E_RNA) where: Base-Base interactions energy: -713.690 where: short stacking energy: -292.952 Base-Backbone interact. energy: 0.074 local terms energy: -299.211366 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -61.761 flat angles C4'-P-C4' energy: -59.628 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -84.250 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: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -899.859714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.859714 (E_RNA) where: Base-Base interactions energy: -625.580 where: short stacking energy: -271.398 Base-Backbone interact. energy: -0.158 local terms energy: -274.121683 where: bonds (distance) C4'-P energy: -50.600 bonds (distance) P-C4' energy: -55.094 flat angles C4'-P-C4' energy: -59.073 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -71.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -914.768785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.768785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.768785 (E_RNA) where: Base-Base interactions energy: -630.367 where: short stacking energy: -263.780 Base-Backbone interact. energy: -0.445 local terms energy: -283.957045 where: bonds (distance) C4'-P energy: -49.727 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -75.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -798.794076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.794076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.794076 (E_RNA) where: Base-Base interactions energy: -516.678 where: short stacking energy: -237.745 Base-Backbone interact. energy: 0.566 local terms energy: -282.682367 where: bonds (distance) C4'-P energy: -64.099 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -57.724 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -60.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -805.918447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.918447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.918447 (E_RNA) where: Base-Base interactions energy: -551.635 where: short stacking energy: -214.718 Base-Backbone interact. energy: -2.661 local terms energy: -251.622673 where: bonds (distance) C4'-P energy: -46.408 bonds (distance) P-C4' energy: -48.076 flat angles C4'-P-C4' energy: -68.152 flat angles P-C4'-P energy: -31.790 tors. eta vs tors. theta energy: -57.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -699.168804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.168804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.168804 (E_RNA) where: Base-Base interactions energy: -452.621 where: short stacking energy: -209.505 Base-Backbone interact. energy: -1.203 local terms energy: -245.344933 where: bonds (distance) C4'-P energy: -55.625 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -56.294 flat angles P-C4'-P energy: -28.375 tors. eta vs tors. theta energy: -52.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -590.649693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.649693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.649693 (E_RNA) where: Base-Base interactions energy: -397.397 where: short stacking energy: -189.667 Base-Backbone interact. energy: 1.901 local terms energy: -195.153457 where: bonds (distance) C4'-P energy: -43.028 bonds (distance) P-C4' energy: -52.056 flat angles C4'-P-C4' energy: -43.399 flat angles P-C4'-P energy: -25.132 tors. eta vs tors. theta energy: -31.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -501.972832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.972832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.972832 (E_RNA) where: Base-Base interactions energy: -308.235 where: short stacking energy: -142.325 Base-Backbone interact. energy: 1.176 local terms energy: -194.913829 where: bonds (distance) C4'-P energy: -35.297 bonds (distance) P-C4' energy: -45.633 flat angles C4'-P-C4' energy: -52.352 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -23.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -426.455712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.455712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.455712 (E_RNA) where: Base-Base interactions energy: -221.513 where: short stacking energy: -124.882 Base-Backbone interact. energy: -0.209 local terms energy: -204.733519 where: bonds (distance) C4'-P energy: -50.370 bonds (distance) P-C4' energy: -58.134 flat angles C4'-P-C4' energy: -56.934 flat angles P-C4'-P energy: -15.900 tors. eta vs tors. theta energy: -23.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -332.781770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.781770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.781770 (E_RNA) where: Base-Base interactions energy: -161.840 where: short stacking energy: -99.259 Base-Backbone interact. energy: -1.917 local terms energy: -169.025310 where: bonds (distance) C4'-P energy: -51.749 bonds (distance) P-C4' energy: -47.096 flat angles C4'-P-C4' energy: -37.112 flat angles P-C4'-P energy: -31.464 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1028.067927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.067927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.067927 (E_RNA) where: Base-Base interactions energy: -719.664 where: short stacking energy: -279.972 Base-Backbone interact. energy: -1.633 local terms energy: -306.770342 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -69.106 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -78.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -901.728700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.728700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.728700 (E_RNA) where: Base-Base interactions energy: -619.914 where: short stacking energy: -281.879 Base-Backbone interact. energy: -0.207 local terms energy: -281.607659 where: bonds (distance) C4'-P energy: -53.328 bonds (distance) P-C4' energy: -57.683 flat angles C4'-P-C4' energy: -50.720 flat angles P-C4'-P energy: -38.170 tors. eta vs tors. theta energy: -81.707 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: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -922.148466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.148466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.148466 (E_RNA) where: Base-Base interactions energy: -645.902 where: short stacking energy: -287.054 Base-Backbone interact. energy: -0.587 local terms energy: -275.659331 where: bonds (distance) C4'-P energy: -50.533 bonds (distance) P-C4' energy: -48.047 flat angles C4'-P-C4' energy: -59.541 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -74.283 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: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -800.371294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.371294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.371294 (E_RNA) where: Base-Base interactions energy: -515.245 where: short stacking energy: -243.350 Base-Backbone interact. energy: -0.753 local terms energy: -284.373832 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -60.481 flat angles P-C4'-P energy: -35.063 tors. eta vs tors. theta energy: -74.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -797.333054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.333054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.333054 (E_RNA) where: Base-Base interactions energy: -550.010 where: short stacking energy: -218.570 Base-Backbone interact. energy: -1.444 local terms energy: -245.879237 where: bonds (distance) C4'-P energy: -46.439 bonds (distance) P-C4' energy: -56.300 flat angles C4'-P-C4' energy: -59.013 flat angles P-C4'-P energy: -31.324 tors. eta vs tors. theta energy: -52.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -707.371334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.371334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.371334 (E_RNA) where: Base-Base interactions energy: -469.945 where: short stacking energy: -223.782 Base-Backbone interact. energy: 0.195 local terms energy: -237.621839 where: bonds (distance) C4'-P energy: -47.215 bonds (distance) P-C4' energy: -52.892 flat angles C4'-P-C4' energy: -57.463 flat angles P-C4'-P energy: -28.797 tors. eta vs tors. theta energy: -51.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -606.038160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.038160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.038160 (E_RNA) where: Base-Base interactions energy: -373.411 where: short stacking energy: -182.439 Base-Backbone interact. energy: 1.126 local terms energy: -233.753090 where: bonds (distance) C4'-P energy: -40.606 bonds (distance) P-C4' energy: -56.962 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -31.134 tors. eta vs tors. theta energy: -41.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -467.302692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.302692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.302692 (E_RNA) where: Base-Base interactions energy: -263.597 where: short stacking energy: -156.881 Base-Backbone interact. energy: 1.128 local terms energy: -204.832761 where: bonds (distance) C4'-P energy: -44.517 bonds (distance) P-C4' energy: -56.816 flat angles C4'-P-C4' energy: -45.781 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -19.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -393.550960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.550960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.550960 (E_RNA) where: Base-Base interactions energy: -200.524 where: short stacking energy: -122.365 Base-Backbone interact. energy: -0.684 local terms energy: -192.342442 where: bonds (distance) C4'-P energy: -40.500 bonds (distance) P-C4' energy: -54.919 flat angles C4'-P-C4' energy: -43.261 flat angles P-C4'-P energy: -26.776 tors. eta vs tors. theta energy: -26.887 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: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -343.766846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.766846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.766846 (E_RNA) where: Base-Base interactions energy: -187.835 where: short stacking energy: -100.309 Base-Backbone interact. energy: -0.851 local terms energy: -155.080424 where: bonds (distance) C4'-P energy: -36.218 bonds (distance) P-C4' energy: -42.393 flat angles C4'-P-C4' energy: -43.145 flat angles P-C4'-P energy: -24.545 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1025.810324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.810324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.810324 (E_RNA) where: Base-Base interactions energy: -717.912 where: short stacking energy: -303.855 Base-Backbone interact. energy: -1.697 local terms energy: -306.200649 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -53.981 flat angles C4'-P-C4' energy: -66.260 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: -80.971 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: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -905.864873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.864873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.864873 (E_RNA) where: Base-Base interactions energy: -614.167 where: short stacking energy: -272.753 Base-Backbone interact. energy: 1.610 local terms energy: -293.307964 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -53.470 flat angles C4'-P-C4' energy: -65.114 flat angles P-C4'-P energy: -39.452 tors. eta vs tors. theta energy: -75.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -928.128065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.128065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.128065 (E_RNA) where: Base-Base interactions energy: -634.784 where: short stacking energy: -275.016 Base-Backbone interact. energy: 0.021 local terms energy: -293.365275 where: bonds (distance) C4'-P energy: -61.567 bonds (distance) P-C4' energy: -58.534 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: -73.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -859.562220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.562220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.562220 (E_RNA) where: Base-Base interactions energy: -598.335 where: short stacking energy: -248.466 Base-Backbone interact. energy: -0.155 local terms energy: -261.072134 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -51.406 flat angles C4'-P-C4' energy: -52.062 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -69.050 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: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -771.214253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.214253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.214253 (E_RNA) where: Base-Base interactions energy: -521.984 where: short stacking energy: -218.780 Base-Backbone interact. energy: 5.070 local terms energy: -254.300392 where: bonds (distance) C4'-P energy: -56.329 bonds (distance) P-C4' energy: -48.739 flat angles C4'-P-C4' energy: -60.665 flat angles P-C4'-P energy: -33.293 tors. eta vs tors. theta energy: -55.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -690.627798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.627798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.627798 (E_RNA) where: Base-Base interactions energy: -443.457 where: short stacking energy: -216.632 Base-Backbone interact. energy: -1.743 local terms energy: -245.426942 where: bonds (distance) C4'-P energy: -52.416 bonds (distance) P-C4' energy: -55.056 flat angles C4'-P-C4' energy: -59.450 flat angles P-C4'-P energy: -32.800 tors. eta vs tors. theta energy: -45.705 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: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -595.224769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.224769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.224769 (E_RNA) where: Base-Base interactions energy: -377.347 where: short stacking energy: -172.074 Base-Backbone interact. energy: 1.864 local terms energy: -219.741024 where: bonds (distance) C4'-P energy: -44.656 bonds (distance) P-C4' energy: -53.728 flat angles C4'-P-C4' energy: -58.943 flat angles P-C4'-P energy: -32.503 tors. eta vs tors. theta energy: -29.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -477.007725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.007725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.007725 (E_RNA) where: Base-Base interactions energy: -271.601 where: short stacking energy: -144.407 Base-Backbone interact. energy: -0.521 local terms energy: -204.885667 where: bonds (distance) C4'-P energy: -44.588 bonds (distance) P-C4' energy: -44.414 flat angles C4'-P-C4' energy: -54.534 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -22.044 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: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -392.492149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.492149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.492149 (E_RNA) where: Base-Base interactions energy: -212.558 where: short stacking energy: -126.377 Base-Backbone interact. energy: -0.287 local terms energy: -179.647500 where: bonds (distance) C4'-P energy: -46.949 bonds (distance) P-C4' energy: -48.820 flat angles C4'-P-C4' energy: -52.179 flat angles P-C4'-P energy: -21.134 tors. eta vs tors. theta energy: -10.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -351.932174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.932174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.932174 (E_RNA) where: Base-Base interactions energy: -197.916 where: short stacking energy: -111.684 Base-Backbone interact. energy: -0.204 local terms energy: -153.811797 where: bonds (distance) C4'-P energy: -43.002 bonds (distance) P-C4' energy: -37.903 flat angles C4'-P-C4' energy: -37.999 flat angles P-C4'-P energy: -23.620 tors. eta vs tors. theta energy: -11.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1023.239125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.239125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.239125 (E_RNA) where: Base-Base interactions energy: -714.583 where: short stacking energy: -289.705 Base-Backbone interact. energy: -0.922 local terms energy: -307.734534 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -61.079 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -78.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -914.155273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.155273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.155273 (E_RNA) where: Base-Base interactions energy: -607.235 where: short stacking energy: -269.036 Base-Backbone interact. energy: 1.429 local terms energy: -308.349282 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -59.622 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -43.521 tors. eta vs tors. theta energy: -76.633 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: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -865.870830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.870830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.870830 (E_RNA) where: Base-Base interactions energy: -609.708 where: short stacking energy: -264.716 Base-Backbone interact. energy: 1.389 local terms energy: -257.552043 where: bonds (distance) C4'-P energy: -51.052 bonds (distance) P-C4' energy: -53.589 flat angles C4'-P-C4' energy: -54.073 flat angles P-C4'-P energy: -37.471 tors. eta vs tors. theta energy: -61.367 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: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -905.940685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.940685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.940685 (E_RNA) where: Base-Base interactions energy: -625.543 where: short stacking energy: -286.038 Base-Backbone interact. energy: -0.198 local terms energy: -280.200302 where: bonds (distance) C4'-P energy: -48.615 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -77.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -758.565485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.565485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.565485 (E_RNA) where: Base-Base interactions energy: -504.620 where: short stacking energy: -227.220 Base-Backbone interact. energy: -0.827 local terms energy: -253.119155 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -62.266 flat angles C4'-P-C4' energy: -53.479 flat angles P-C4'-P energy: -33.703 tors. eta vs tors. theta energy: -55.681 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: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -725.813745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.813745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.813745 (E_RNA) where: Base-Base interactions energy: -479.962 where: short stacking energy: -230.758 Base-Backbone interact. energy: -1.024 local terms energy: -244.827593 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -53.956 flat angles C4'-P-C4' energy: -44.339 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: -61.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -591.510681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.510681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.510681 (E_RNA) where: Base-Base interactions energy: -369.390 where: short stacking energy: -190.098 Base-Backbone interact. energy: -1.012 local terms energy: -221.108814 where: bonds (distance) C4'-P energy: -50.405 bonds (distance) P-C4' energy: -49.515 flat angles C4'-P-C4' energy: -53.724 flat angles P-C4'-P energy: -28.477 tors. eta vs tors. theta energy: -38.988 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: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -461.326918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.326918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.326918 (E_RNA) where: Base-Base interactions energy: -250.256 where: short stacking energy: -126.507 Base-Backbone interact. energy: -0.870 local terms energy: -210.200961 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -51.500 flat angles C4'-P-C4' energy: -53.796 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -393.627244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.627244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.627244 (E_RNA) where: Base-Base interactions energy: -201.457 where: short stacking energy: -127.204 Base-Backbone interact. energy: -0.486 local terms energy: -191.684175 where: bonds (distance) C4'-P energy: -50.390 bonds (distance) P-C4' energy: -56.747 flat angles C4'-P-C4' energy: -41.841 flat angles P-C4'-P energy: -21.875 tors. eta vs tors. theta energy: -20.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -357.880789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.880789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.880789 (E_RNA) where: Base-Base interactions energy: -206.329 where: short stacking energy: -107.583 Base-Backbone interact. energy: -0.538 local terms energy: -151.012963 where: bonds (distance) C4'-P energy: -43.913 bonds (distance) P-C4' energy: -48.749 flat angles C4'-P-C4' energy: -29.977 flat angles P-C4'-P energy: -23.390 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1016.125536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.125536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.125536 (E_RNA) where: Base-Base interactions energy: -719.064 where: short stacking energy: -304.465 Base-Backbone interact. energy: -1.406 local terms energy: -295.655254 where: bonds (distance) C4'-P energy: -49.808 bonds (distance) P-C4' energy: -56.692 flat angles C4'-P-C4' energy: -61.063 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -82.884 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: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -918.336532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.336532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.336532 (E_RNA) where: Base-Base interactions energy: -622.786 where: short stacking energy: -289.193 Base-Backbone interact. energy: 0.157 local terms energy: -295.707640 where: bonds (distance) C4'-P energy: -52.250 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -78.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -869.049084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.049084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.049084 (E_RNA) where: Base-Base interactions energy: -602.568 where: short stacking energy: -238.448 Base-Backbone interact. energy: -2.608 local terms energy: -263.872542 where: bonds (distance) C4'-P energy: -54.526 bonds (distance) P-C4' energy: -55.593 flat angles C4'-P-C4' energy: -58.041 flat angles P-C4'-P energy: -37.235 tors. eta vs tors. theta energy: -58.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -911.834481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.834481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.834481 (E_RNA) where: Base-Base interactions energy: -625.587 where: short stacking energy: -268.087 Base-Backbone interact. energy: 1.035 local terms energy: -287.282526 where: bonds (distance) C4'-P energy: -51.324 bonds (distance) P-C4' energy: -54.493 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -31.567 tors. eta vs tors. theta energy: -83.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -762.459002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.459002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.459002 (E_RNA) where: Base-Base interactions energy: -520.257 where: short stacking energy: -223.293 Base-Backbone interact. energy: 0.151 local terms energy: -242.352334 where: bonds (distance) C4'-P energy: -49.017 bonds (distance) P-C4' energy: -51.968 flat angles C4'-P-C4' energy: -53.660 flat angles P-C4'-P energy: -31.246 tors. eta vs tors. theta energy: -56.462 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: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -715.149665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.149665 (E_RNA) where: Base-Base interactions energy: -474.963 where: short stacking energy: -213.815 Base-Backbone interact. energy: -2.023 local terms energy: -238.163734 where: bonds (distance) C4'-P energy: -46.680 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -50.135 flat angles P-C4'-P energy: -31.954 tors. eta vs tors. theta energy: -53.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -624.876417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.876417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.876417 (E_RNA) where: Base-Base interactions energy: -381.638 where: short stacking energy: -190.169 Base-Backbone interact. energy: -0.422 local terms energy: -242.816613 where: bonds (distance) C4'-P energy: -54.946 bonds (distance) P-C4' energy: -43.983 flat angles C4'-P-C4' energy: -58.376 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -41.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -438.632219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.632219 (E_RNA) where: Base-Base interactions energy: -239.844 where: short stacking energy: -126.827 Base-Backbone interact. energy: -0.499 local terms energy: -198.289293 where: bonds (distance) C4'-P energy: -55.982 bonds (distance) P-C4' energy: -51.943 flat angles C4'-P-C4' energy: -50.892 flat angles P-C4'-P energy: -27.856 tors. eta vs tors. theta energy: -11.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -432.130198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.130198 (E_RNA) where: Base-Base interactions energy: -253.233 where: short stacking energy: -119.036 Base-Backbone interact. energy: 0.247 local terms energy: -179.144333 where: bonds (distance) C4'-P energy: -43.249 bonds (distance) P-C4' energy: -49.591 flat angles C4'-P-C4' energy: -45.015 flat angles P-C4'-P energy: -25.223 tors. eta vs tors. theta energy: -16.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -329.657105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.657105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.657105 (E_RNA) where: Base-Base interactions energy: -169.909 where: short stacking energy: -112.047 Base-Backbone interact. energy: 0.322 local terms energy: -160.070042 where: bonds (distance) C4'-P energy: -38.448 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -41.502 flat angles P-C4'-P energy: -14.953 tors. eta vs tors. theta energy: -8.591 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: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1029.427505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.427505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.427505 (E_RNA) where: Base-Base interactions energy: -715.847 where: short stacking energy: -306.243 Base-Backbone interact. energy: -1.387 local terms energy: -312.193300 where: bonds (distance) C4'-P energy: -57.760 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -44.388 tors. eta vs tors. theta energy: -79.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -904.614358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.614358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.614358 (E_RNA) where: Base-Base interactions energy: -610.504 where: short stacking energy: -274.569 Base-Backbone interact. energy: -1.791 local terms energy: -292.318998 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -40.536 tors. eta vs tors. theta energy: -72.723 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: 10 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -906.244134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.244134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.244134 (E_RNA) where: Base-Base interactions energy: -616.530 where: short stacking energy: -266.607 Base-Backbone interact. energy: 1.406 local terms energy: -291.119548 where: bonds (distance) C4'-P energy: -53.331 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -74.474 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: 64 Temperature: 1.050000 Total energy: -872.719989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.719989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.719989 (E_RNA) where: Base-Base interactions energy: -595.032 where: short stacking energy: -253.323 Base-Backbone interact. energy: -0.388 local terms energy: -277.300821 where: bonds (distance) C4'-P energy: -56.142 bonds (distance) P-C4' energy: -60.580 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -41.027 tors. eta vs tors. theta energy: -61.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -806.088794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.088794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.088794 (E_RNA) where: Base-Base interactions energy: -552.872 where: short stacking energy: -235.037 Base-Backbone interact. energy: -1.249 local terms energy: -251.966901 where: bonds (distance) C4'-P energy: -44.177 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -48.666 flat angles P-C4'-P energy: -42.233 tors. eta vs tors. theta energy: -59.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -687.629633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.629633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.629633 (E_RNA) where: Base-Base interactions energy: -444.699 where: short stacking energy: -200.668 Base-Backbone interact. energy: -1.839 local terms energy: -241.091191 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -48.844 flat angles C4'-P-C4' energy: -53.309 flat angles P-C4'-P energy: -40.371 tors. eta vs tors. theta energy: -46.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -610.510664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.510664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.510664 (E_RNA) where: Base-Base interactions energy: -400.821 where: short stacking energy: -182.763 Base-Backbone interact. energy: 0.844 local terms energy: -210.534064 where: bonds (distance) C4'-P energy: -41.939 bonds (distance) P-C4' energy: -48.670 flat angles C4'-P-C4' energy: -55.322 flat angles P-C4'-P energy: -26.899 tors. eta vs tors. theta energy: -37.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -477.548727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.548727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.548727 (E_RNA) where: Base-Base interactions energy: -279.556 where: short stacking energy: -142.762 Base-Backbone interact. energy: -1.483 local terms energy: -196.509259 where: bonds (distance) C4'-P energy: -42.445 bonds (distance) P-C4' energy: -54.501 flat angles C4'-P-C4' energy: -45.621 flat angles P-C4'-P energy: -28.394 tors. eta vs tors. theta energy: -25.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -339.256701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.256701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.256701 (E_RNA) where: Base-Base interactions energy: -171.494 where: short stacking energy: -99.546 Base-Backbone interact. energy: 4.020 local terms energy: -171.783155 where: bonds (distance) C4'-P energy: -48.501 bonds (distance) P-C4' energy: -43.003 flat angles C4'-P-C4' energy: -52.006 flat angles P-C4'-P energy: -20.828 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -411.948003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.948003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.948003 (E_RNA) where: Base-Base interactions energy: -236.099 where: short stacking energy: -126.792 Base-Backbone interact. energy: 0.605 local terms energy: -176.454285 where: bonds (distance) C4'-P energy: -34.641 bonds (distance) P-C4' energy: -42.336 flat angles C4'-P-C4' energy: -43.433 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -20.438 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: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1028.231385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.231385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.231385 (E_RNA) where: Base-Base interactions energy: -733.756 where: short stacking energy: -291.727 Base-Backbone interact. energy: -2.896 local terms energy: -291.580262 where: bonds (distance) C4'-P energy: -61.140 bonds (distance) P-C4' energy: -41.824 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -79.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -929.935315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.935315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.935315 (E_RNA) where: Base-Base interactions energy: -635.583 where: short stacking energy: -284.990 Base-Backbone interact. energy: 3.683 local terms energy: -298.034873 where: bonds (distance) C4'-P energy: -57.287 bonds (distance) P-C4' energy: -56.885 flat angles C4'-P-C4' energy: -66.799 flat angles P-C4'-P energy: -39.481 tors. eta vs tors. theta energy: -77.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -884.659211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.659211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.659211 (E_RNA) where: Base-Base interactions energy: -599.399 where: short stacking energy: -258.900 Base-Backbone interact. energy: -2.020 local terms energy: -283.240295 where: bonds (distance) C4'-P energy: -55.110 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -55.917 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: -71.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -874.481838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.481838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.481838 (E_RNA) where: Base-Base interactions energy: -615.724 where: short stacking energy: -244.601 Base-Backbone interact. energy: -3.344 local terms energy: -255.413254 where: bonds (distance) C4'-P energy: -45.604 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -50.607 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -63.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -782.360985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.360985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.360985 (E_RNA) where: Base-Base interactions energy: -515.133 where: short stacking energy: -217.591 Base-Backbone interact. energy: 0.208 local terms energy: -267.436122 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -46.422 flat angles C4'-P-C4' energy: -66.428 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -51.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -707.336743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.336743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.336743 (E_RNA) where: Base-Base interactions energy: -459.847 where: short stacking energy: -225.031 Base-Backbone interact. energy: 0.831 local terms energy: -248.320244 where: bonds (distance) C4'-P energy: -51.214 bonds (distance) P-C4' energy: -53.991 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -33.349 tors. eta vs tors. theta energy: -51.673 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: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -635.740099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.740099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.740099 (E_RNA) where: Base-Base interactions energy: -422.459 where: short stacking energy: -188.735 Base-Backbone interact. energy: 0.435 local terms energy: -213.716368 where: bonds (distance) C4'-P energy: -49.132 bonds (distance) P-C4' energy: -50.110 flat angles C4'-P-C4' energy: -45.101 flat angles P-C4'-P energy: -37.218 tors. eta vs tors. theta energy: -32.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -429.762468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.762468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.762468 (E_RNA) where: Base-Base interactions energy: -249.669 where: short stacking energy: -108.946 Base-Backbone interact. energy: -1.240 local terms energy: -178.854108 where: bonds (distance) C4'-P energy: -54.662 bonds (distance) P-C4' energy: -55.843 flat angles C4'-P-C4' energy: -40.769 flat angles P-C4'-P energy: -23.449 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -353.852494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.852494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.852494 (E_RNA) where: Base-Base interactions energy: -186.672 where: short stacking energy: -112.162 Base-Backbone interact. energy: 0.117 local terms energy: -167.296891 where: bonds (distance) C4'-P energy: -50.681 bonds (distance) P-C4' energy: -54.617 flat angles C4'-P-C4' energy: -31.329 flat angles P-C4'-P energy: -20.447 tors. eta vs tors. theta energy: -10.222 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: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -367.185431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.185431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.185431 (E_RNA) where: Base-Base interactions energy: -188.846 where: short stacking energy: -102.822 Base-Backbone interact. energy: -1.494 local terms energy: -176.844881 where: bonds (distance) C4'-P energy: -52.555 bonds (distance) P-C4' energy: -38.708 flat angles C4'-P-C4' energy: -43.651 flat angles P-C4'-P energy: -26.126 tors. eta vs tors. theta energy: -15.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1025.280748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.280748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.280748 (E_RNA) where: Base-Base interactions energy: -721.233 where: short stacking energy: -284.432 Base-Backbone interact. energy: -0.779 local terms energy: -303.268686 where: bonds (distance) C4'-P energy: -52.799 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -64.911 flat angles P-C4'-P energy: -47.590 tors. eta vs tors. theta energy: -76.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -935.603131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.603131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.603131 (E_RNA) where: Base-Base interactions energy: -634.501 where: short stacking energy: -276.356 Base-Backbone interact. energy: 0.633 local terms energy: -301.734852 where: bonds (distance) C4'-P energy: -50.318 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -67.312 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -74.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -914.707138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.707138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.707138 (E_RNA) where: Base-Base interactions energy: -639.156 where: short stacking energy: -256.633 Base-Backbone interact. energy: -1.306 local terms energy: -274.245505 where: bonds (distance) C4'-P energy: -56.180 bonds (distance) P-C4' energy: -49.722 flat angles C4'-P-C4' energy: -67.923 flat angles P-C4'-P energy: -33.894 tors. eta vs tors. theta energy: -66.527 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: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -869.201327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.201327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.201327 (E_RNA) where: Base-Base interactions energy: -599.133 where: short stacking energy: -264.054 Base-Backbone interact. energy: -1.553 local terms energy: -268.515195 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -46.939 flat angles C4'-P-C4' energy: -51.850 flat angles P-C4'-P energy: -40.238 tors. eta vs tors. theta energy: -70.882 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: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -768.776396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.776396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.776396 (E_RNA) where: Base-Base interactions energy: -503.204 where: short stacking energy: -230.443 Base-Backbone interact. energy: -0.419 local terms energy: -265.153422 where: bonds (distance) C4'-P energy: -55.673 bonds (distance) P-C4' energy: -56.016 flat angles C4'-P-C4' energy: -56.680 flat angles P-C4'-P energy: -46.121 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: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -711.683324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.683324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.683324 (E_RNA) where: Base-Base interactions energy: -471.587 where: short stacking energy: -217.634 Base-Backbone interact. energy: -1.263 local terms energy: -238.833606 where: bonds (distance) C4'-P energy: -51.141 bonds (distance) P-C4' energy: -54.771 flat angles C4'-P-C4' energy: -57.379 flat angles P-C4'-P energy: -28.340 tors. eta vs tors. theta energy: -47.201 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: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -684.032705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.032705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.032705 (E_RNA) where: Base-Base interactions energy: -440.849 where: short stacking energy: -196.878 Base-Backbone interact. energy: -2.666 local terms energy: -240.517778 where: bonds (distance) C4'-P energy: -50.492 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -51.907 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -37.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -426.434727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.434727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.434727 (E_RNA) where: Base-Base interactions energy: -255.740 where: short stacking energy: -131.353 Base-Backbone interact. energy: -0.866 local terms energy: -169.828176 where: bonds (distance) C4'-P energy: -41.025 bonds (distance) P-C4' energy: -55.881 flat angles C4'-P-C4' energy: -41.832 flat angles P-C4'-P energy: -20.319 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -382.245543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.245543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.245543 (E_RNA) where: Base-Base interactions energy: -187.572 where: short stacking energy: -90.714 Base-Backbone interact. energy: -1.584 local terms energy: -193.089459 where: bonds (distance) C4'-P energy: -44.284 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -49.210 flat angles P-C4'-P energy: -31.710 tors. eta vs tors. theta energy: -8.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -329.542544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.542544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.542544 (E_RNA) where: Base-Base interactions energy: -179.795 where: short stacking energy: -91.927 Base-Backbone interact. energy: 0.233 local terms energy: -149.980550 where: bonds (distance) C4'-P energy: -46.668 bonds (distance) P-C4' energy: -45.858 flat angles C4'-P-C4' energy: -51.317 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: 5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1026.047142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.047142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.047142 (E_RNA) where: Base-Base interactions energy: -723.148 where: short stacking energy: -284.827 Base-Backbone interact. energy: -0.186 local terms energy: -302.713269 where: bonds (distance) C4'-P energy: -51.567 bonds (distance) P-C4' energy: -62.351 flat angles C4'-P-C4' energy: -63.413 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -80.486 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: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -924.744028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.744028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.744028 (E_RNA) where: Base-Base interactions energy: -632.722 where: short stacking energy: -275.503 Base-Backbone interact. energy: -0.091 local terms energy: -291.931288 where: bonds (distance) C4'-P energy: -56.132 bonds (distance) P-C4' energy: -60.907 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -35.457 tors. eta vs tors. theta energy: -75.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -878.474474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.474474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.474474 (E_RNA) where: Base-Base interactions energy: -611.403 where: short stacking energy: -248.677 Base-Backbone interact. energy: -1.130 local terms energy: -265.941247 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -54.240 flat angles C4'-P-C4' energy: -63.141 flat angles P-C4'-P energy: -32.112 tors. eta vs tors. theta energy: -59.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -846.883825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.883825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.883825 (E_RNA) where: Base-Base interactions energy: -578.986 where: short stacking energy: -248.636 Base-Backbone interact. energy: -2.689 local terms energy: -265.207932 where: bonds (distance) C4'-P energy: -54.578 bonds (distance) P-C4' energy: -52.703 flat angles C4'-P-C4' energy: -54.443 flat angles P-C4'-P energy: -38.394 tors. eta vs tors. theta energy: -65.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -779.275844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.275844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.275844 (E_RNA) where: Base-Base interactions energy: -527.555 where: short stacking energy: -239.760 Base-Backbone interact. energy: 0.505 local terms energy: -252.226132 where: bonds (distance) C4'-P energy: -45.414 bonds (distance) P-C4' energy: -50.586 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -60.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -691.294070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.294070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.294070 (E_RNA) where: Base-Base interactions energy: -453.067 where: short stacking energy: -211.370 Base-Backbone interact. energy: -1.365 local terms energy: -236.862291 where: bonds (distance) C4'-P energy: -50.301 bonds (distance) P-C4' energy: -51.723 flat angles C4'-P-C4' energy: -48.646 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -49.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -688.182699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.182699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.182699 (E_RNA) where: Base-Base interactions energy: -443.580 where: short stacking energy: -199.067 Base-Backbone interact. energy: 0.171 local terms energy: -244.773811 where: bonds (distance) C4'-P energy: -53.199 bonds (distance) P-C4' energy: -50.125 flat angles C4'-P-C4' energy: -49.128 flat angles P-C4'-P energy: -36.966 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: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -485.063302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.063302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.063302 (E_RNA) where: Base-Base interactions energy: -289.710 where: short stacking energy: -143.652 Base-Backbone interact. energy: -0.104 local terms energy: -195.249286 where: bonds (distance) C4'-P energy: -45.377 bonds (distance) P-C4' energy: -52.244 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -30.206 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: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -420.440843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.440843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.440843 (E_RNA) where: Base-Base interactions energy: -241.913 where: short stacking energy: -132.583 Base-Backbone interact. energy: 0.201 local terms energy: -178.728289 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -58.399 flat angles C4'-P-C4' energy: -44.342 flat angles P-C4'-P energy: -24.333 tors. eta vs tors. theta energy: -5.515 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: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -338.857485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.857485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.857485 (E_RNA) where: Base-Base interactions energy: -176.188 where: short stacking energy: -102.339 Base-Backbone interact. energy: 0.334 local terms energy: -163.003559 where: bonds (distance) C4'-P energy: -48.063 bonds (distance) P-C4' energy: -41.689 flat angles C4'-P-C4' energy: -46.536 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: -0.027 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: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1035.200706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.200706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.200706 (E_RNA) where: Base-Base interactions energy: -734.879 where: short stacking energy: -287.075 Base-Backbone interact. energy: 1.350 local terms energy: -301.671672 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -64.537 flat angles P-C4'-P energy: -40.507 tors. eta vs tors. theta energy: -82.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -938.386923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.386923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.386923 (E_RNA) where: Base-Base interactions energy: -634.024 where: short stacking energy: -290.473 Base-Backbone interact. energy: -0.242 local terms energy: -304.121145 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -58.803 flat angles C4'-P-C4' energy: -63.160 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -84.735 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: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -890.256383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.256383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.256383 (E_RNA) where: Base-Base interactions energy: -613.616 where: short stacking energy: -234.106 Base-Backbone interact. energy: -0.465 local terms energy: -276.175266 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -53.481 flat angles C4'-P-C4' energy: -58.678 flat angles P-C4'-P energy: -45.140 tors. eta vs tors. theta energy: -64.878 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: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -868.029550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.029550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.029550 (E_RNA) where: Base-Base interactions energy: -594.522 where: short stacking energy: -268.234 Base-Backbone interact. energy: -1.284 local terms energy: -272.224291 where: bonds (distance) C4'-P energy: -50.961 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -67.040 flat angles P-C4'-P energy: -30.110 tors. eta vs tors. theta energy: -68.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -789.647868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.647868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.647868 (E_RNA) where: Base-Base interactions energy: -522.805 where: short stacking energy: -246.933 Base-Backbone interact. energy: -0.416 local terms energy: -266.426710 where: bonds (distance) C4'-P energy: -54.161 bonds (distance) P-C4' energy: -49.599 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -39.489 tors. eta vs tors. theta energy: -61.819 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: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -700.569702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.569702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.569702 (E_RNA) where: Base-Base interactions energy: -467.438 where: short stacking energy: -199.765 Base-Backbone interact. energy: -0.568 local terms energy: -232.564395 where: bonds (distance) C4'-P energy: -37.937 bonds (distance) P-C4' energy: -52.498 flat angles C4'-P-C4' energy: -59.269 flat angles P-C4'-P energy: -30.657 tors. eta vs tors. theta energy: -52.204 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: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -667.402704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.402704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.402704 (E_RNA) where: Base-Base interactions energy: -452.162 where: short stacking energy: -202.001 Base-Backbone interact. energy: -0.812 local terms energy: -214.428686 where: bonds (distance) C4'-P energy: -53.601 bonds (distance) P-C4' energy: -41.764 flat angles C4'-P-C4' energy: -46.239 flat angles P-C4'-P energy: -29.957 tors. eta vs tors. theta energy: -42.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -523.699971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.699971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.699971 (E_RNA) where: Base-Base interactions energy: -339.492 where: short stacking energy: -142.055 Base-Backbone interact. energy: 0.515 local terms energy: -184.722790 where: bonds (distance) C4'-P energy: -42.048 bonds (distance) P-C4' energy: -50.447 flat angles C4'-P-C4' energy: -47.531 flat angles P-C4'-P energy: -24.150 tors. eta vs tors. theta energy: -20.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -392.069353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.069353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.069353 (E_RNA) where: Base-Base interactions energy: -213.211 where: short stacking energy: -98.147 Base-Backbone interact. energy: 1.250 local terms energy: -180.108277 where: bonds (distance) C4'-P energy: -55.262 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -36.333 flat angles P-C4'-P energy: -28.894 tors. eta vs tors. theta energy: -4.507 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: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -398.917564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.917564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.917564 (E_RNA) where: Base-Base interactions energy: -226.854 where: short stacking energy: -131.938 Base-Backbone interact. energy: 2.183 local terms energy: -174.246385 where: bonds (distance) C4'-P energy: -42.403 bonds (distance) P-C4' energy: -54.488 flat angles C4'-P-C4' energy: -50.175 flat angles P-C4'-P energy: -13.868 tors. eta vs tors. theta energy: -13.313 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: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1035.793452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.793452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.793452 (E_RNA) where: Base-Base interactions energy: -728.894 where: short stacking energy: -295.179 Base-Backbone interact. energy: -1.056 local terms energy: -305.843359 where: bonds (distance) C4'-P energy: -44.667 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -65.412 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -84.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -959.139143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.139143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.139143 (E_RNA) where: Base-Base interactions energy: -667.706 where: short stacking energy: -288.909 Base-Backbone interact. energy: 0.078 local terms energy: -291.510958 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -55.715 flat angles C4'-P-C4' energy: -60.283 flat angles P-C4'-P energy: -43.316 tors. eta vs tors. theta energy: -81.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -882.967255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.967255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.967255 (E_RNA) where: Base-Base interactions energy: -600.046 where: short stacking energy: -236.896 Base-Backbone interact. energy: -1.781 local terms energy: -281.140210 where: bonds (distance) C4'-P energy: -54.371 bonds (distance) P-C4' energy: -60.990 flat angles C4'-P-C4' energy: -60.004 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -59.752 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: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -851.020944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.020944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.020944 (E_RNA) where: Base-Base interactions energy: -590.467 where: short stacking energy: -261.063 Base-Backbone interact. energy: -1.708 local terms energy: -258.846176 where: bonds (distance) C4'-P energy: -51.621 bonds (distance) P-C4' energy: -44.502 flat angles C4'-P-C4' energy: -58.210 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: -67.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -791.563672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.563672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.563672 (E_RNA) where: Base-Base interactions energy: -513.655 where: short stacking energy: -211.107 Base-Backbone interact. energy: 1.187 local terms energy: -279.095730 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -64.786 flat angles C4'-P-C4' energy: -55.558 flat angles P-C4'-P energy: -37.219 tors. eta vs tors. theta energy: -59.379 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: 69 Temperature: 1.150000 Total energy: -711.143539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.143539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.143539 (E_RNA) where: Base-Base interactions energy: -472.700 where: short stacking energy: -216.259 Base-Backbone interact. energy: 0.930 local terms energy: -239.372752 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -41.520 flat angles C4'-P-C4' energy: -55.944 flat angles P-C4'-P energy: -32.104 tors. eta vs tors. theta energy: -59.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -672.080823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.080823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.080823 (E_RNA) where: Base-Base interactions energy: -456.432 where: short stacking energy: -201.466 Base-Backbone interact. energy: -1.762 local terms energy: -213.886119 where: bonds (distance) C4'-P energy: -29.890 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -57.697 flat angles P-C4'-P energy: -34.092 tors. eta vs tors. theta energy: -38.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -512.617714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.617714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.617714 (E_RNA) where: Base-Base interactions energy: -322.738 where: short stacking energy: -150.731 Base-Backbone interact. energy: 0.239 local terms energy: -190.118958 where: bonds (distance) C4'-P energy: -39.912 bonds (distance) P-C4' energy: -50.330 flat angles C4'-P-C4' energy: -55.069 flat angles P-C4'-P energy: -25.994 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -407.566127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.566127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.566127 (E_RNA) where: Base-Base interactions energy: -209.650 where: short stacking energy: -111.623 Base-Backbone interact. energy: -0.882 local terms energy: -197.033356 where: bonds (distance) C4'-P energy: -43.610 bonds (distance) P-C4' energy: -63.162 flat angles C4'-P-C4' energy: -48.794 flat angles P-C4'-P energy: -32.012 tors. eta vs tors. theta energy: -9.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -368.065610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.065610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.065610 (E_RNA) where: Base-Base interactions energy: -206.416 where: short stacking energy: -94.471 Base-Backbone interact. energy: 0.143 local terms energy: -161.793026 where: bonds (distance) C4'-P energy: -47.154 bonds (distance) P-C4' energy: -52.081 flat angles C4'-P-C4' energy: -43.196 flat angles P-C4'-P energy: -21.853 tors. eta vs tors. theta energy: 2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1035.078050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.078050 (E_RNA) where: Base-Base interactions energy: -734.796 where: short stacking energy: -278.634 Base-Backbone interact. energy: -2.202 local terms energy: -298.080097 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -62.927 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -40.133 tors. eta vs tors. theta energy: -77.137 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -958.532682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.532682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.532682 (E_RNA) where: Base-Base interactions energy: -656.833 where: short stacking energy: -277.279 Base-Backbone interact. energy: -0.474 local terms energy: -301.225225 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -65.630 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -37.932 tors. eta vs tors. theta energy: -82.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -893.986562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.986562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.986562 (E_RNA) where: Base-Base interactions energy: -623.651 where: short stacking energy: -249.787 Base-Backbone interact. energy: 0.018 local terms energy: -270.353402 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -59.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -858.841670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.841670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.841670 (E_RNA) where: Base-Base interactions energy: -589.523 where: short stacking energy: -255.268 Base-Backbone interact. energy: 0.798 local terms energy: -270.116670 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -58.184 flat angles C4'-P-C4' energy: -59.414 flat angles P-C4'-P energy: -32.607 tors. eta vs tors. theta energy: -62.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -800.104339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.104339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.104339 (E_RNA) where: Base-Base interactions energy: -541.032 where: short stacking energy: -247.847 Base-Backbone interact. energy: 0.895 local terms energy: -259.967174 where: bonds (distance) C4'-P energy: -40.627 bonds (distance) P-C4' energy: -49.240 flat angles C4'-P-C4' energy: -63.596 flat angles P-C4'-P energy: -38.394 tors. eta vs tors. theta energy: -68.110 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: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -748.044724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.044724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.044724 (E_RNA) where: Base-Base interactions energy: -510.932 where: short stacking energy: -242.892 Base-Backbone interact. energy: 0.642 local terms energy: -237.755155 where: bonds (distance) C4'-P energy: -53.814 bonds (distance) P-C4' energy: -49.453 flat angles C4'-P-C4' energy: -50.275 flat angles P-C4'-P energy: -26.433 tors. eta vs tors. theta energy: -57.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -646.616370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.616370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.616370 (E_RNA) where: Base-Base interactions energy: -413.569 where: short stacking energy: -200.856 Base-Backbone interact. energy: -0.795 local terms energy: -232.251920 where: bonds (distance) C4'-P energy: -49.502 bonds (distance) P-C4' energy: -44.346 flat angles C4'-P-C4' energy: -58.042 flat angles P-C4'-P energy: -37.634 tors. eta vs tors. theta energy: -42.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -529.059109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.059109 (E_RNA) where: Base-Base interactions energy: -331.897 where: short stacking energy: -173.019 Base-Backbone interact. energy: 2.533 local terms energy: -199.695081 where: bonds (distance) C4'-P energy: -46.865 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -46.304 flat angles P-C4'-P energy: -22.484 tors. eta vs tors. theta energy: -27.971 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: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -457.332436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.332436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.332436 (E_RNA) where: Base-Base interactions energy: -259.193 where: short stacking energy: -122.139 Base-Backbone interact. energy: -1.288 local terms energy: -196.851054 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -43.349 flat angles P-C4'-P energy: -20.037 tors. eta vs tors. theta energy: -27.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -360.177333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.177333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.177333 (E_RNA) where: Base-Base interactions energy: -206.689 where: short stacking energy: -110.780 Base-Backbone interact. energy: 1.444 local terms energy: -154.932162 where: bonds (distance) C4'-P energy: -50.528 bonds (distance) P-C4' energy: -46.961 flat angles C4'-P-C4' energy: -28.013 flat angles P-C4'-P energy: -17.499 tors. eta vs tors. theta energy: -11.931 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: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1037.775843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.775843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.775843 (E_RNA) where: Base-Base interactions energy: -731.321 where: short stacking energy: -284.927 Base-Backbone interact. energy: -1.909 local terms energy: -304.545381 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -58.492 flat angles C4'-P-C4' energy: -60.510 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -82.358 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -957.051788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.051788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.051788 (E_RNA) where: Base-Base interactions energy: -660.154 where: short stacking energy: -281.512 Base-Backbone interact. energy: -0.290 local terms energy: -296.607040 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -56.784 flat angles C4'-P-C4' energy: -63.744 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -70.187 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: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -905.856697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.856697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.856697 (E_RNA) where: Base-Base interactions energy: -619.997 where: short stacking energy: -258.831 Base-Backbone interact. energy: -2.928 local terms energy: -282.931347 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -61.770 flat angles C4'-P-C4' energy: -59.881 flat angles P-C4'-P energy: -40.696 tors. eta vs tors. theta energy: -64.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -797.287044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.287044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.287044 (E_RNA) where: Base-Base interactions energy: -537.155 where: short stacking energy: -238.240 Base-Backbone interact. energy: -0.838 local terms energy: -259.293567 where: bonds (distance) C4'-P energy: -50.166 bonds (distance) P-C4' energy: -44.410 flat angles C4'-P-C4' energy: -65.710 flat angles P-C4'-P energy: -34.356 tors. eta vs tors. theta energy: -64.651 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: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -812.923790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.923790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.923790 (E_RNA) where: Base-Base interactions energy: -564.833 where: short stacking energy: -232.031 Base-Backbone interact. energy: -1.485 local terms energy: -246.606413 where: bonds (distance) C4'-P energy: -41.248 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -50.722 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: -52.393 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: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -727.176269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.176269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.176269 (E_RNA) where: Base-Base interactions energy: -495.974 where: short stacking energy: -218.554 Base-Backbone interact. energy: -0.880 local terms energy: -230.321616 where: bonds (distance) C4'-P energy: -47.912 bonds (distance) P-C4' energy: -48.055 flat angles C4'-P-C4' energy: -54.232 flat angles P-C4'-P energy: -27.725 tors. eta vs tors. theta energy: -52.397 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: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -705.292694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.292694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.292694 (E_RNA) where: Base-Base interactions energy: -477.651 where: short stacking energy: -202.163 Base-Backbone interact. energy: -2.748 local terms energy: -224.893731 where: bonds (distance) C4'-P energy: -48.869 bonds (distance) P-C4' energy: -45.198 flat angles C4'-P-C4' energy: -45.312 flat angles P-C4'-P energy: -36.258 tors. eta vs tors. theta energy: -49.256 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: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -455.526408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.526408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.526408 (E_RNA) where: Base-Base interactions energy: -249.056 where: short stacking energy: -125.121 Base-Backbone interact. energy: 2.692 local terms energy: -209.162306 where: bonds (distance) C4'-P energy: -46.992 bonds (distance) P-C4' energy: -56.997 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -34.781 tors. eta vs tors. theta energy: -12.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -507.722578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.722578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.722578 (E_RNA) where: Base-Base interactions energy: -290.938 where: short stacking energy: -141.004 Base-Backbone interact. energy: 1.154 local terms energy: -217.939184 where: bonds (distance) C4'-P energy: -46.868 bonds (distance) P-C4' energy: -57.946 flat angles C4'-P-C4' energy: -62.110 flat angles P-C4'-P energy: -29.042 tors. eta vs tors. theta energy: -21.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -357.200461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.200461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.200461 (E_RNA) where: Base-Base interactions energy: -185.261 where: short stacking energy: -99.072 Base-Backbone interact. energy: -0.365 local terms energy: -171.574736 where: bonds (distance) C4'-P energy: -48.865 bonds (distance) P-C4' energy: -44.138 flat angles C4'-P-C4' energy: -47.947 flat angles P-C4'-P energy: -27.935 tors. eta vs tors. theta energy: -2.689 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: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1034.672621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.672621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.672621 (E_RNA) where: Base-Base interactions energy: -717.322 where: short stacking energy: -278.265 Base-Backbone interact. energy: -2.563 local terms energy: -314.788054 where: bonds (distance) C4'-P energy: -60.074 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -63.340 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -77.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -940.055860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.055860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.055860 (E_RNA) where: Base-Base interactions energy: -652.364 where: short stacking energy: -275.655 Base-Backbone interact. energy: 0.442 local terms energy: -288.133901 where: bonds (distance) C4'-P energy: -55.136 bonds (distance) P-C4' energy: -56.500 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -37.353 tors. eta vs tors. theta energy: -73.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -874.203772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.203772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.203772 (E_RNA) where: Base-Base interactions energy: -615.608 where: short stacking energy: -275.229 Base-Backbone interact. energy: 0.079 local terms energy: -258.675576 where: bonds (distance) C4'-P energy: -53.280 bonds (distance) P-C4' energy: -45.338 flat angles C4'-P-C4' energy: -56.276 flat angles P-C4'-P energy: -37.763 tors. eta vs tors. theta energy: -66.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -799.973933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.973933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.973933 (E_RNA) where: Base-Base interactions energy: -528.105 where: short stacking energy: -242.499 Base-Backbone interact. energy: -1.307 local terms energy: -270.562414 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -54.396 flat angles C4'-P-C4' energy: -60.382 flat angles P-C4'-P energy: -32.577 tors. eta vs tors. theta energy: -70.729 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: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -822.615408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.615408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.615408 (E_RNA) where: Base-Base interactions energy: -571.232 where: short stacking energy: -236.487 Base-Backbone interact. energy: -1.572 local terms energy: -249.811785 where: bonds (distance) C4'-P energy: -43.993 bonds (distance) P-C4' energy: -54.451 flat angles C4'-P-C4' energy: -56.384 flat angles P-C4'-P energy: -31.292 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -693.133236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.133236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.133236 (E_RNA) where: Base-Base interactions energy: -446.319 where: short stacking energy: -212.124 Base-Backbone interact. energy: -0.556 local terms energy: -246.258454 where: bonds (distance) C4'-P energy: -48.372 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -54.305 flat angles P-C4'-P energy: -34.735 tors. eta vs tors. theta energy: -56.652 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: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -673.710954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.710954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.710954 (E_RNA) where: Base-Base interactions energy: -438.926 where: short stacking energy: -206.459 Base-Backbone interact. energy: -0.341 local terms energy: -234.443828 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -45.869 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -32.443 tors. eta vs tors. theta energy: -47.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -490.596426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.596426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.596426 (E_RNA) where: Base-Base interactions energy: -301.602 where: short stacking energy: -138.393 Base-Backbone interact. energy: -0.388 local terms energy: -188.606675 where: bonds (distance) C4'-P energy: -42.991 bonds (distance) P-C4' energy: -44.453 flat angles C4'-P-C4' energy: -49.532 flat angles P-C4'-P energy: -35.871 tors. eta vs tors. theta energy: -15.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -511.974106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.974106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.974106 (E_RNA) where: Base-Base interactions energy: -323.769 where: short stacking energy: -141.112 Base-Backbone interact. energy: -1.587 local terms energy: -186.618275 where: bonds (distance) C4'-P energy: -43.065 bonds (distance) P-C4' energy: -52.955 flat angles C4'-P-C4' energy: -50.131 flat angles P-C4'-P energy: -22.476 tors. eta vs tors. theta energy: -17.992 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: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -359.005123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.005123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.005123 (E_RNA) where: Base-Base interactions energy: -189.309 where: short stacking energy: -96.113 Base-Backbone interact. energy: -0.153 local terms energy: -169.542747 where: bonds (distance) C4'-P energy: -42.760 bonds (distance) P-C4' energy: -44.250 flat angles C4'-P-C4' energy: -42.128 flat angles P-C4'-P energy: -31.269 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -994.955184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.955184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.955184 (E_RNA) where: Base-Base interactions energy: -690.816 where: short stacking energy: -273.170 Base-Backbone interact. energy: 0.263 local terms energy: -304.402268 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -65.223 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -74.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -930.299144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.299144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.299144 (E_RNA) where: Base-Base interactions energy: -632.898 where: short stacking energy: -279.658 Base-Backbone interact. energy: -0.545 local terms energy: -296.855875 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -57.169 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -75.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -897.883909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.883909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.883909 (E_RNA) where: Base-Base interactions energy: -630.035 where: short stacking energy: -258.992 Base-Backbone interact. energy: -0.449 local terms energy: -267.400053 where: bonds (distance) C4'-P energy: -51.751 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -53.037 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -58.575 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: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -836.928874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.928874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.928874 (E_RNA) where: Base-Base interactions energy: -563.114 where: short stacking energy: -243.963 Base-Backbone interact. energy: -1.241 local terms energy: -272.573731 where: bonds (distance) C4'-P energy: -49.970 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -63.587 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -62.240 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: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -803.902054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.902054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.902054 (E_RNA) where: Base-Base interactions energy: -535.153 where: short stacking energy: -234.324 Base-Backbone interact. energy: -0.638 local terms energy: -268.110248 where: bonds (distance) C4'-P energy: -50.407 bonds (distance) P-C4' energy: -49.115 flat angles C4'-P-C4' energy: -59.056 flat angles P-C4'-P energy: -43.632 tors. eta vs tors. theta energy: -65.901 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: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -674.249544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.249544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.249544 (E_RNA) where: Base-Base interactions energy: -455.346 where: short stacking energy: -206.475 Base-Backbone interact. energy: -0.233 local terms energy: -218.670297 where: bonds (distance) C4'-P energy: -32.370 bonds (distance) P-C4' energy: -46.902 flat angles C4'-P-C4' energy: -54.724 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: -44.023 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: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -659.653158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.653158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.653158 (E_RNA) where: Base-Base interactions energy: -422.976 where: short stacking energy: -188.238 Base-Backbone interact. energy: -0.251 local terms energy: -236.425834 where: bonds (distance) C4'-P energy: -54.842 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -40.609 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -41.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -487.616627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.616627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.616627 (E_RNA) where: Base-Base interactions energy: -285.378 where: short stacking energy: -127.686 Base-Backbone interact. energy: -0.756 local terms energy: -201.483206 where: bonds (distance) C4'-P energy: -49.437 bonds (distance) P-C4' energy: -49.103 flat angles C4'-P-C4' energy: -48.234 flat angles P-C4'-P energy: -33.210 tors. eta vs tors. theta energy: -21.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -551.439953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.439953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.439953 (E_RNA) where: Base-Base interactions energy: -375.114 where: short stacking energy: -169.461 Base-Backbone interact. energy: 0.637 local terms energy: -176.963262 where: bonds (distance) C4'-P energy: -44.979 bonds (distance) P-C4' energy: -44.302 flat angles C4'-P-C4' energy: -41.873 flat angles P-C4'-P energy: -24.052 tors. eta vs tors. theta energy: -21.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -361.104103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.104103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.104103 (E_RNA) where: Base-Base interactions energy: -196.240 where: short stacking energy: -114.855 Base-Backbone interact. energy: 2.301 local terms energy: -167.165498 where: bonds (distance) C4'-P energy: -44.401 bonds (distance) P-C4' energy: -37.768 flat angles C4'-P-C4' energy: -47.417 flat angles P-C4'-P energy: -23.644 tors. eta vs tors. theta energy: -13.936 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: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1010.964208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.964208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.964208 (E_RNA) where: Base-Base interactions energy: -711.094 where: short stacking energy: -291.810 Base-Backbone interact. energy: -1.777 local terms energy: -298.093331 where: bonds (distance) C4'-P energy: -62.482 bonds (distance) P-C4' energy: -55.427 flat angles C4'-P-C4' energy: -63.732 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -74.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -921.251094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.251094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.251094 (E_RNA) where: Base-Base interactions energy: -636.789 where: short stacking energy: -279.899 Base-Backbone interact. energy: 0.615 local terms energy: -285.077095 where: bonds (distance) C4'-P energy: -47.668 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -62.252 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -70.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -871.353714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.353714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.353714 (E_RNA) where: Base-Base interactions energy: -606.906 where: short stacking energy: -251.204 Base-Backbone interact. energy: -0.931 local terms energy: -263.517546 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -47.353 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: -60.878 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: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -839.083288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.083288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.083288 (E_RNA) where: Base-Base interactions energy: -563.772 where: short stacking energy: -251.774 Base-Backbone interact. energy: -0.438 local terms energy: -274.873373 where: bonds (distance) C4'-P energy: -53.190 bonds (distance) P-C4' energy: -49.200 flat angles C4'-P-C4' energy: -64.579 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -65.270 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: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -795.537425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.537425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.537425 (E_RNA) where: Base-Base interactions energy: -530.059 where: short stacking energy: -238.271 Base-Backbone interact. energy: 1.110 local terms energy: -266.589115 where: bonds (distance) C4'-P energy: -51.931 bonds (distance) P-C4' energy: -49.848 flat angles C4'-P-C4' energy: -58.471 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -71.870 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: 74 Temperature: 1.150000 Total energy: -720.645464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.645464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.645464 (E_RNA) where: Base-Base interactions energy: -470.130 where: short stacking energy: -212.768 Base-Backbone interact. energy: -1.536 local terms energy: -248.979764 where: bonds (distance) C4'-P energy: -50.030 bonds (distance) P-C4' energy: -54.313 flat angles C4'-P-C4' energy: -54.837 flat angles P-C4'-P energy: -35.140 tors. eta vs tors. theta energy: -54.660 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: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -646.803509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.803509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.803509 (E_RNA) where: Base-Base interactions energy: -424.917 where: short stacking energy: -193.741 Base-Backbone interact. energy: -0.960 local terms energy: -220.925798 where: bonds (distance) C4'-P energy: -53.435 bonds (distance) P-C4' energy: -44.430 flat angles C4'-P-C4' energy: -50.017 flat angles P-C4'-P energy: -30.191 tors. eta vs tors. theta energy: -42.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -467.145699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.145699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.145699 (E_RNA) where: Base-Base interactions energy: -270.649 where: short stacking energy: -144.020 Base-Backbone interact. energy: 2.581 local terms energy: -199.077877 where: bonds (distance) C4'-P energy: -55.196 bonds (distance) P-C4' energy: -45.549 flat angles C4'-P-C4' energy: -51.111 flat angles P-C4'-P energy: -30.735 tors. eta vs tors. theta energy: -16.487 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: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -571.092512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.092512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.092512 (E_RNA) where: Base-Base interactions energy: -376.654 where: short stacking energy: -165.485 Base-Backbone interact. energy: -1.044 local terms energy: -193.393967 where: bonds (distance) C4'-P energy: -50.656 bonds (distance) P-C4' energy: -49.260 flat angles C4'-P-C4' energy: -44.183 flat angles P-C4'-P energy: -28.307 tors. eta vs tors. theta energy: -20.987 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: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -349.511939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.511939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.511939 (E_RNA) where: Base-Base interactions energy: -185.033 where: short stacking energy: -107.906 Base-Backbone interact. energy: 1.404 local terms energy: -165.883434 where: bonds (distance) C4'-P energy: -49.743 bonds (distance) P-C4' energy: -47.046 flat angles C4'-P-C4' energy: -45.003 flat angles P-C4'-P energy: -19.891 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1014.707717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.707717 (E_RNA) where: Base-Base interactions energy: -718.473 where: short stacking energy: -290.111 Base-Backbone interact. energy: -3.412 local terms energy: -292.822679 where: bonds (distance) C4'-P energy: -60.321 bonds (distance) P-C4' energy: -52.546 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -44.382 tors. eta vs tors. theta energy: -70.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -924.065682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.065682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.065682 (E_RNA) where: Base-Base interactions energy: -627.262 where: short stacking energy: -273.161 Base-Backbone interact. energy: -2.535 local terms energy: -294.268654 where: bonds (distance) C4'-P energy: -51.424 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -63.360 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -78.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -864.652771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.652771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.652771 (E_RNA) where: Base-Base interactions energy: -607.293 where: short stacking energy: -250.981 Base-Backbone interact. energy: -1.411 local terms energy: -255.948554 where: bonds (distance) C4'-P energy: -48.188 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -54.763 flat angles P-C4'-P energy: -34.980 tors. eta vs tors. theta energy: -62.142 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: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -861.970441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.970441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.970441 (E_RNA) where: Base-Base interactions energy: -569.709 where: short stacking energy: -270.872 Base-Backbone interact. energy: -0.954 local terms energy: -291.307299 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -60.379 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: -73.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -803.597719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.597719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.597719 (E_RNA) where: Base-Base interactions energy: -552.597 where: short stacking energy: -237.343 Base-Backbone interact. energy: 0.305 local terms energy: -251.305842 where: bonds (distance) C4'-P energy: -43.897 bonds (distance) P-C4' energy: -58.251 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -21.280 tors. eta vs tors. theta energy: -71.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -642.023629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.023629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.023629 (E_RNA) where: Base-Base interactions energy: -407.141 where: short stacking energy: -186.139 Base-Backbone interact. energy: -0.766 local terms energy: -234.116447 where: bonds (distance) C4'-P energy: -52.428 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -56.609 flat angles P-C4'-P energy: -35.311 tors. eta vs tors. theta energy: -33.683 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: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -678.064006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.064006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.064006 (E_RNA) where: Base-Base interactions energy: -434.125 where: short stacking energy: -193.897 Base-Backbone interact. energy: 2.606 local terms energy: -246.545616 where: bonds (distance) C4'-P energy: -55.177 bonds (distance) P-C4' energy: -50.551 flat angles C4'-P-C4' energy: -50.445 flat angles P-C4'-P energy: -37.422 tors. eta vs tors. theta energy: -52.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -583.708686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.708686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.708686 (E_RNA) where: Base-Base interactions energy: -375.445 where: short stacking energy: -177.211 Base-Backbone interact. energy: 3.566 local terms energy: -211.830374 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -55.650 flat angles C4'-P-C4' energy: -36.496 flat angles P-C4'-P energy: -39.174 tors. eta vs tors. theta energy: -32.461 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: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -404.827710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.827710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.827710 (E_RNA) where: Base-Base interactions energy: -229.377 where: short stacking energy: -118.167 Base-Backbone interact. energy: -1.662 local terms energy: -173.789355 where: bonds (distance) C4'-P energy: -48.067 bonds (distance) P-C4' energy: -46.892 flat angles C4'-P-C4' energy: -48.208 flat angles P-C4'-P energy: -27.490 tors. eta vs tors. theta energy: -3.132 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: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -340.738389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.738389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.738389 (E_RNA) where: Base-Base interactions energy: -179.355 where: short stacking energy: -88.553 Base-Backbone interact. energy: 2.103 local terms energy: -163.485897 where: bonds (distance) C4'-P energy: -47.881 bonds (distance) P-C4' energy: -40.632 flat angles C4'-P-C4' energy: -51.403 flat angles P-C4'-P energy: -20.631 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1004.266754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.266754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.266754 (E_RNA) where: Base-Base interactions energy: -706.334 where: short stacking energy: -290.651 Base-Backbone interact. energy: -1.234 local terms energy: -296.699016 where: bonds (distance) C4'-P energy: -59.463 bonds (distance) P-C4' energy: -51.790 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -78.232 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: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -944.642605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.642605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.642605 (E_RNA) where: Base-Base interactions energy: -645.435 where: short stacking energy: -282.590 Base-Backbone interact. energy: -2.265 local terms energy: -296.943474 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -52.645 flat angles C4'-P-C4' energy: -58.164 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -84.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -865.637426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.637426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.637426 (E_RNA) where: Base-Base interactions energy: -592.915 where: short stacking energy: -235.492 Base-Backbone interact. energy: -0.237 local terms energy: -272.485538 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -51.751 flat angles P-C4'-P energy: -42.329 tors. eta vs tors. theta energy: -54.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -826.879331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.879331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.879331 (E_RNA) where: Base-Base interactions energy: -549.356 where: short stacking energy: -241.068 Base-Backbone interact. energy: -2.107 local terms energy: -275.416945 where: bonds (distance) C4'-P energy: -52.367 bonds (distance) P-C4' energy: -52.706 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -66.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -797.713911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.713911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.713911 (E_RNA) where: Base-Base interactions energy: -547.138 where: short stacking energy: -241.798 Base-Backbone interact. energy: -1.159 local terms energy: -249.416248 where: bonds (distance) C4'-P energy: -45.346 bonds (distance) P-C4' energy: -56.140 flat angles C4'-P-C4' energy: -59.151 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -54.141 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: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -682.994129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.994129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.994129 (E_RNA) where: Base-Base interactions energy: -458.633 where: short stacking energy: -190.808 Base-Backbone interact. energy: 1.475 local terms energy: -225.836020 where: bonds (distance) C4'-P energy: -47.789 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -55.232 flat angles P-C4'-P energy: -27.085 tors. eta vs tors. theta energy: -39.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -594.675540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.675540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.675540 (E_RNA) where: Base-Base interactions energy: -378.384 where: short stacking energy: -177.851 Base-Backbone interact. energy: -0.514 local terms energy: -215.778289 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -52.325 flat angles C4'-P-C4' energy: -44.162 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -32.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -611.234009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.234009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.234009 (E_RNA) where: Base-Base interactions energy: -390.547 where: short stacking energy: -169.042 Base-Backbone interact. energy: 6.418 local terms energy: -227.105366 where: bonds (distance) C4'-P energy: -43.217 bonds (distance) P-C4' energy: -58.313 flat angles C4'-P-C4' energy: -49.107 flat angles P-C4'-P energy: -33.877 tors. eta vs tors. theta energy: -42.592 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: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -370.841454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.841454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.841454 (E_RNA) where: Base-Base interactions energy: -200.021 where: short stacking energy: -107.547 Base-Backbone interact. energy: -0.260 local terms energy: -170.560751 where: bonds (distance) C4'-P energy: -50.037 bonds (distance) P-C4' energy: -47.522 flat angles C4'-P-C4' energy: -41.341 flat angles P-C4'-P energy: -27.709 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -388.301304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.301304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.301304 (E_RNA) where: Base-Base interactions energy: -231.548 where: short stacking energy: -113.127 Base-Backbone interact. energy: 1.907 local terms energy: -158.659614 where: bonds (distance) C4'-P energy: -51.149 bonds (distance) P-C4' energy: -33.591 flat angles C4'-P-C4' energy: -39.443 flat angles P-C4'-P energy: -26.430 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1009.599467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.599467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.599467 (E_RNA) where: Base-Base interactions energy: -702.210 where: short stacking energy: -269.369 Base-Backbone interact. energy: -1.777 local terms energy: -305.612570 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -61.488 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -71.557 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: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -941.425006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.425006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.425006 (E_RNA) where: Base-Base interactions energy: -640.690 where: short stacking energy: -289.940 Base-Backbone interact. energy: 0.545 local terms energy: -301.280538 where: bonds (distance) C4'-P energy: -52.014 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -66.874 flat angles P-C4'-P energy: -42.728 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: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -891.760692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.760692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.760692 (E_RNA) where: Base-Base interactions energy: -614.704 where: short stacking energy: -263.783 Base-Backbone interact. energy: -2.130 local terms energy: -274.926339 where: bonds (distance) C4'-P energy: -44.444 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -56.989 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -71.071 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: 4, replica: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -837.538458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.538458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.538458 (E_RNA) where: Base-Base interactions energy: -566.691 where: short stacking energy: -239.519 Base-Backbone interact. energy: -1.150 local terms energy: -269.697340 where: bonds (distance) C4'-P energy: -50.840 bonds (distance) P-C4' energy: -47.648 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -39.252 tors. eta vs tors. theta energy: -72.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -774.477941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.477941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.477941 (E_RNA) where: Base-Base interactions energy: -527.592 where: short stacking energy: -226.660 Base-Backbone interact. energy: 1.017 local terms energy: -247.903615 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -50.851 flat angles C4'-P-C4' energy: -56.211 flat angles P-C4'-P energy: -34.245 tors. eta vs tors. theta energy: -54.628 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: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -690.829308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.829308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.829308 (E_RNA) where: Base-Base interactions energy: -471.891 where: short stacking energy: -222.073 Base-Backbone interact. energy: 0.352 local terms energy: -219.289619 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -48.240 flat angles P-C4'-P energy: -28.782 tors. eta vs tors. theta energy: -38.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -589.753142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.753142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.753142 (E_RNA) where: Base-Base interactions energy: -363.216 where: short stacking energy: -174.474 Base-Backbone interact. energy: -0.755 local terms energy: -225.782162 where: bonds (distance) C4'-P energy: -51.511 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -46.867 flat angles P-C4'-P energy: -33.731 tors. eta vs tors. theta energy: -35.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -613.809216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.809216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.809216 (E_RNA) where: Base-Base interactions energy: -400.179 where: short stacking energy: -183.828 Base-Backbone interact. energy: 0.489 local terms energy: -214.119513 where: bonds (distance) C4'-P energy: -39.420 bonds (distance) P-C4' energy: -38.862 flat angles C4'-P-C4' energy: -45.439 flat angles P-C4'-P energy: -43.627 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: 9, replica: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -368.802596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.802596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.802596 (E_RNA) where: Base-Base interactions energy: -202.625 where: short stacking energy: -123.725 Base-Backbone interact. energy: -0.584 local terms energy: -165.592906 where: bonds (distance) C4'-P energy: -46.142 bonds (distance) P-C4' energy: -45.004 flat angles C4'-P-C4' energy: -47.319 flat angles P-C4'-P energy: -20.736 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -402.649019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.649019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.649019 (E_RNA) where: Base-Base interactions energy: -224.008 where: short stacking energy: -110.378 Base-Backbone interact. energy: 8.945 local terms energy: -187.586368 where: bonds (distance) C4'-P energy: -37.212 bonds (distance) P-C4' energy: -55.276 flat angles C4'-P-C4' energy: -52.657 flat angles P-C4'-P energy: -33.657 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -954.498748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.498748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.498748 (E_RNA) where: Base-Base interactions energy: -656.048 where: short stacking energy: -289.808 Base-Backbone interact. energy: 1.980 local terms energy: -300.431578 where: bonds (distance) C4'-P energy: -63.630 bonds (distance) P-C4' energy: -57.072 flat angles C4'-P-C4' energy: -64.494 flat angles P-C4'-P energy: -42.321 tors. eta vs tors. theta energy: -72.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -976.372548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.372548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.372548 (E_RNA) where: Base-Base interactions energy: -683.315 where: short stacking energy: -287.594 Base-Backbone interact. energy: -1.496 local terms energy: -291.561841 where: bonds (distance) C4'-P energy: -52.307 bonds (distance) P-C4' energy: -59.429 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -44.603 tors. eta vs tors. theta energy: -77.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -884.367219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.367219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.367219 (E_RNA) where: Base-Base interactions energy: -604.721 where: short stacking energy: -250.711 Base-Backbone interact. energy: 1.715 local terms energy: -281.360962 where: bonds (distance) C4'-P energy: -55.578 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -66.986 flat angles P-C4'-P energy: -36.011 tors. eta vs tors. theta energy: -67.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -866.480651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.480651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.480651 (E_RNA) where: Base-Base interactions energy: -588.587 where: short stacking energy: -253.343 Base-Backbone interact. energy: 0.565 local terms energy: -278.459094 where: bonds (distance) C4'-P energy: -52.598 bonds (distance) P-C4' energy: -58.292 flat angles C4'-P-C4' energy: -63.483 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -65.208 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: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -799.686624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.686624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.686624 (E_RNA) where: Base-Base interactions energy: -527.282 where: short stacking energy: -231.578 Base-Backbone interact. energy: 0.242 local terms energy: -272.646868 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -53.961 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -35.209 tors. eta vs tors. theta energy: -58.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -717.921498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.921498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.921498 (E_RNA) where: Base-Base interactions energy: -471.055 where: short stacking energy: -225.585 Base-Backbone interact. energy: 3.956 local terms energy: -250.822938 where: bonds (distance) C4'-P energy: -51.782 bonds (distance) P-C4' energy: -53.440 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -42.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -638.682480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.682480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.682480 (E_RNA) where: Base-Base interactions energy: -415.739 where: short stacking energy: -188.429 Base-Backbone interact. energy: -0.193 local terms energy: -222.750050 where: bonds (distance) C4'-P energy: -47.983 bonds (distance) P-C4' energy: -51.963 flat angles C4'-P-C4' energy: -48.501 flat angles P-C4'-P energy: -35.766 tors. eta vs tors. theta energy: -38.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -579.907870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.907870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.907870 (E_RNA) where: Base-Base interactions energy: -355.137 where: short stacking energy: -172.897 Base-Backbone interact. energy: -1.127 local terms energy: -223.644255 where: bonds (distance) C4'-P energy: -50.943 bonds (distance) P-C4' energy: -59.549 flat angles C4'-P-C4' energy: -59.515 flat angles P-C4'-P energy: -17.002 tors. eta vs tors. theta energy: -36.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -406.646899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.646899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.646899 (E_RNA) where: Base-Base interactions energy: -232.636 where: short stacking energy: -124.700 Base-Backbone interact. energy: -1.376 local terms energy: -172.635256 where: bonds (distance) C4'-P energy: -38.017 bonds (distance) P-C4' energy: -43.303 flat angles C4'-P-C4' energy: -53.523 flat angles P-C4'-P energy: -24.973 tors. eta vs tors. theta energy: -12.819 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: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -401.448030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.448030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.448030 (E_RNA) where: Base-Base interactions energy: -241.820 where: short stacking energy: -110.616 Base-Backbone interact. energy: -1.876 local terms energy: -157.751288 where: bonds (distance) C4'-P energy: -36.437 bonds (distance) P-C4' energy: -46.934 flat angles C4'-P-C4' energy: -40.643 flat angles P-C4'-P energy: -23.447 tors. eta vs tors. theta energy: -10.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -954.879241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.879241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.879241 (E_RNA) where: Base-Base interactions energy: -665.149 where: short stacking energy: -298.664 Base-Backbone interact. energy: -1.226 local terms energy: -288.504230 where: bonds (distance) C4'-P energy: -52.507 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -73.664 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: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -972.329898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.329898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.329898 (E_RNA) where: Base-Base interactions energy: -672.759 where: short stacking energy: -276.328 Base-Backbone interact. energy: -3.677 local terms energy: -295.893638 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -71.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -860.506993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.506993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.506993 (E_RNA) where: Base-Base interactions energy: -598.208 where: short stacking energy: -243.348 Base-Backbone interact. energy: -0.217 local terms energy: -262.082422 where: bonds (distance) C4'-P energy: -53.090 bonds (distance) P-C4' energy: -47.755 flat angles C4'-P-C4' energy: -54.971 flat angles P-C4'-P energy: -41.656 tors. eta vs tors. theta energy: -64.610 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: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -857.843951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.843951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.843951 (E_RNA) where: Base-Base interactions energy: -562.473 where: short stacking energy: -249.939 Base-Backbone interact. energy: -2.279 local terms energy: -293.091657 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -71.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -803.073242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.073242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.073242 (E_RNA) where: Base-Base interactions energy: -539.940 where: short stacking energy: -239.978 Base-Backbone interact. energy: 1.594 local terms energy: -264.728027 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -53.475 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -29.102 tors. eta vs tors. theta energy: -65.465 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: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -680.543871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.543871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.543871 (E_RNA) where: Base-Base interactions energy: -447.295 where: short stacking energy: -210.675 Base-Backbone interact. energy: 1.444 local terms energy: -234.692942 where: bonds (distance) C4'-P energy: -47.562 bonds (distance) P-C4' energy: -45.834 flat angles C4'-P-C4' energy: -57.791 flat angles P-C4'-P energy: -23.616 tors. eta vs tors. theta energy: -59.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -674.815851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.815851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.815851 (E_RNA) where: Base-Base interactions energy: -440.211 where: short stacking energy: -192.762 Base-Backbone interact. energy: -1.098 local terms energy: -233.506694 where: bonds (distance) C4'-P energy: -50.469 bonds (distance) P-C4' energy: -56.219 flat angles C4'-P-C4' energy: -52.106 flat angles P-C4'-P energy: -35.392 tors. eta vs tors. theta energy: -39.320 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -578.789532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.789532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.789532 (E_RNA) where: Base-Base interactions energy: -372.532 where: short stacking energy: -175.976 Base-Backbone interact. energy: 1.895 local terms energy: -208.152446 where: bonds (distance) C4'-P energy: -51.950 bonds (distance) P-C4' energy: -43.486 flat angles C4'-P-C4' energy: -46.882 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -28.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -424.294803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.294803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.294803 (E_RNA) where: Base-Base interactions energy: -243.619 where: short stacking energy: -128.002 Base-Backbone interact. energy: -1.394 local terms energy: -179.281825 where: bonds (distance) C4'-P energy: -51.129 bonds (distance) P-C4' energy: -47.544 flat angles C4'-P-C4' energy: -42.686 flat angles P-C4'-P energy: -20.299 tors. eta vs tors. theta energy: -17.623 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: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -325.055918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.055918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.055918 (E_RNA) where: Base-Base interactions energy: -159.024 where: short stacking energy: -107.388 Base-Backbone interact. energy: -1.244 local terms energy: -164.787679 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -52.459 flat angles C4'-P-C4' energy: -32.237 flat angles P-C4'-P energy: -23.781 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1014.238280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.238280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.238280 (E_RNA) where: Base-Base interactions energy: -699.632 where: short stacking energy: -297.799 Base-Backbone interact. energy: -2.499 local terms energy: -312.106628 where: bonds (distance) C4'-P energy: -56.868 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -65.001 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: -85.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -935.754353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.754353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.754353 (E_RNA) where: Base-Base interactions energy: -653.389 where: short stacking energy: -290.376 Base-Backbone interact. energy: 1.359 local terms energy: -283.723956 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -56.106 flat angles C4'-P-C4' energy: -61.394 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -75.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -845.406882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.406882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.406882 (E_RNA) where: Base-Base interactions energy: -569.414 where: short stacking energy: -245.283 Base-Backbone interact. energy: 4.554 local terms energy: -280.546903 where: bonds (distance) C4'-P energy: -58.795 bonds (distance) P-C4' energy: -57.934 flat angles C4'-P-C4' energy: -58.680 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -59.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -853.235215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.235215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.235215 (E_RNA) where: Base-Base interactions energy: -573.044 where: short stacking energy: -254.590 Base-Backbone interact. energy: -1.007 local terms energy: -279.185055 where: bonds (distance) C4'-P energy: -48.573 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -60.370 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -67.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -815.284177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.284177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.284177 (E_RNA) where: Base-Base interactions energy: -566.044 where: short stacking energy: -240.005 Base-Backbone interact. energy: -2.229 local terms energy: -247.011449 where: bonds (distance) C4'-P energy: -54.773 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -54.698 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -53.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -675.503599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.503599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.503599 (E_RNA) where: Base-Base interactions energy: -442.383 where: short stacking energy: -186.604 Base-Backbone interact. energy: -0.397 local terms energy: -232.723971 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -46.192 flat angles C4'-P-C4' energy: -52.668 flat angles P-C4'-P energy: -32.652 tors. eta vs tors. theta energy: -43.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -694.914994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.914994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.914994 (E_RNA) where: Base-Base interactions energy: -471.425 where: short stacking energy: -207.476 Base-Backbone interact. energy: -0.955 local terms energy: -222.534165 where: bonds (distance) C4'-P energy: -45.620 bonds (distance) P-C4' energy: -55.246 flat angles C4'-P-C4' energy: -52.253 flat angles P-C4'-P energy: -23.986 tors. eta vs tors. theta energy: -45.430 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: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -589.480773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.480773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.480773 (E_RNA) where: Base-Base interactions energy: -374.806 where: short stacking energy: -175.516 Base-Backbone interact. energy: 0.189 local terms energy: -214.863779 where: bonds (distance) C4'-P energy: -30.324 bonds (distance) P-C4' energy: -54.192 flat angles C4'-P-C4' energy: -57.789 flat angles P-C4'-P energy: -32.104 tors. eta vs tors. theta energy: -40.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -430.499405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.499405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.499405 (E_RNA) where: Base-Base interactions energy: -253.214 where: short stacking energy: -123.551 Base-Backbone interact. energy: -3.091 local terms energy: -174.194239 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -53.316 flat angles C4'-P-C4' energy: -40.255 flat angles P-C4'-P energy: -17.094 tors. eta vs tors. theta energy: -8.692 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: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -346.054552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.054552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.054552 (E_RNA) where: Base-Base interactions energy: -170.258 where: short stacking energy: -107.918 Base-Backbone interact. energy: -0.600 local terms energy: -175.195927 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -50.858 flat angles C4'-P-C4' energy: -44.320 flat angles P-C4'-P energy: -18.959 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1018.550204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.550204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.550204 (E_RNA) where: Base-Base interactions energy: -698.913 where: short stacking energy: -311.411 Base-Backbone interact. energy: -2.184 local terms energy: -317.453837 where: bonds (distance) C4'-P energy: -54.384 bonds (distance) P-C4' energy: -58.549 flat angles C4'-P-C4' energy: -73.161 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -82.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -931.459707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.459707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.459707 (E_RNA) where: Base-Base interactions energy: -639.320 where: short stacking energy: -277.566 Base-Backbone interact. energy: -0.298 local terms energy: -291.842125 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -62.076 flat angles P-C4'-P energy: -41.629 tors. eta vs tors. theta energy: -73.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -848.797824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.797824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.797824 (E_RNA) where: Base-Base interactions energy: -576.038 where: short stacking energy: -258.273 Base-Backbone interact. energy: -0.513 local terms energy: -272.246902 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -54.007 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -65.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -836.084698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.084698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.084698 (E_RNA) where: Base-Base interactions energy: -580.681 where: short stacking energy: -239.174 Base-Backbone interact. energy: -1.574 local terms energy: -253.829547 where: bonds (distance) C4'-P energy: -36.940 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -26.245 tors. eta vs tors. theta energy: -68.663 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: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -819.175493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.175493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.175493 (E_RNA) where: Base-Base interactions energy: -561.674 where: short stacking energy: -220.462 Base-Backbone interact. energy: -1.939 local terms energy: -255.562993 where: bonds (distance) C4'-P energy: -48.898 bonds (distance) P-C4' energy: -55.385 flat angles C4'-P-C4' energy: -65.042 flat angles P-C4'-P energy: -37.665 tors. eta vs tors. theta energy: -48.574 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: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -683.515899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.515899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.515899 (E_RNA) where: Base-Base interactions energy: -461.206 where: short stacking energy: -199.345 Base-Backbone interact. energy: 3.787 local terms energy: -226.097865 where: bonds (distance) C4'-P energy: -54.041 bonds (distance) P-C4' energy: -46.238 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -30.457 tors. eta vs tors. theta energy: -39.425 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: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -688.861988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.861988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.861988 (E_RNA) where: Base-Base interactions energy: -469.830 where: short stacking energy: -197.114 Base-Backbone interact. energy: 0.981 local terms energy: -220.012976 where: bonds (distance) C4'-P energy: -36.232 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -55.242 flat angles P-C4'-P energy: -36.579 tors. eta vs tors. theta energy: -35.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -566.122090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.122090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.122090 (E_RNA) where: Base-Base interactions energy: -372.081 where: short stacking energy: -181.115 Base-Backbone interact. energy: -0.429 local terms energy: -193.611695 where: bonds (distance) C4'-P energy: -48.274 bonds (distance) P-C4' energy: -48.555 flat angles C4'-P-C4' energy: -45.920 flat angles P-C4'-P energy: -21.438 tors. eta vs tors. theta energy: -29.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -452.953398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.953398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.953398 (E_RNA) where: Base-Base interactions energy: -262.517 where: short stacking energy: -138.790 Base-Backbone interact. energy: -1.570 local terms energy: -188.866961 where: bonds (distance) C4'-P energy: -40.694 bonds (distance) P-C4' energy: -53.356 flat angles C4'-P-C4' energy: -38.891 flat angles P-C4'-P energy: -34.812 tors. eta vs tors. theta energy: -21.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -315.239595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.239595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.239595 (E_RNA) where: Base-Base interactions energy: -161.489 where: short stacking energy: -99.188 Base-Backbone interact. energy: -1.913 local terms energy: -151.836984 where: bonds (distance) C4'-P energy: -31.608 bonds (distance) P-C4' energy: -40.689 flat angles C4'-P-C4' energy: -50.276 flat angles P-C4'-P energy: -25.991 tors. eta vs tors. theta energy: -3.273 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: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1006.794682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.794682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.794682 (E_RNA) where: Base-Base interactions energy: -704.124 where: short stacking energy: -294.879 Base-Backbone interact. energy: -0.420 local terms energy: -302.250535 where: bonds (distance) C4'-P energy: -56.327 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -77.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -927.445459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.445459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.445459 (E_RNA) where: Base-Base interactions energy: -626.704 where: short stacking energy: -274.371 Base-Backbone interact. energy: -0.200 local terms energy: -300.541350 where: bonds (distance) C4'-P energy: -52.075 bonds (distance) P-C4' energy: -62.482 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -45.830 tors. eta vs tors. theta energy: -72.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -880.838969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.838969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.838969 (E_RNA) where: Base-Base interactions energy: -599.850 where: short stacking energy: -259.686 Base-Backbone interact. energy: 0.718 local terms energy: -281.706904 where: bonds (distance) C4'-P energy: -54.998 bonds (distance) P-C4' energy: -53.383 flat angles C4'-P-C4' energy: -60.110 flat angles P-C4'-P energy: -39.014 tors. eta vs tors. theta energy: -74.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -863.386073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.386073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.386073 (E_RNA) where: Base-Base interactions energy: -585.387 where: short stacking energy: -261.614 Base-Backbone interact. energy: -1.627 local terms energy: -276.372518 where: bonds (distance) C4'-P energy: -47.479 bonds (distance) P-C4' energy: -58.757 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -27.839 tors. eta vs tors. theta energy: -75.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -817.919850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.919850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.919850 (E_RNA) where: Base-Base interactions energy: -564.672 where: short stacking energy: -244.146 Base-Backbone interact. energy: 0.129 local terms energy: -253.376338 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -48.215 flat angles C4'-P-C4' energy: -63.345 flat angles P-C4'-P energy: -34.355 tors. eta vs tors. theta energy: -52.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -682.135162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.135162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.135162 (E_RNA) where: Base-Base interactions energy: -449.513 where: short stacking energy: -199.782 Base-Backbone interact. energy: 0.551 local terms energy: -233.172715 where: bonds (distance) C4'-P energy: -51.844 bonds (distance) P-C4' energy: -52.626 flat angles C4'-P-C4' energy: -50.362 flat angles P-C4'-P energy: -27.144 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: 7, replica: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -722.738288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.738288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.738288 (E_RNA) where: Base-Base interactions energy: -499.100 where: short stacking energy: -202.482 Base-Backbone interact. energy: 2.050 local terms energy: -225.688328 where: bonds (distance) C4'-P energy: -34.421 bonds (distance) P-C4' energy: -42.857 flat angles C4'-P-C4' energy: -59.920 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -44.662 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -494.106989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.106989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.106989 (E_RNA) where: Base-Base interactions energy: -294.245 where: short stacking energy: -128.813 Base-Backbone interact. energy: -0.084 local terms energy: -199.778367 where: bonds (distance) C4'-P energy: -54.075 bonds (distance) P-C4' energy: -45.507 flat angles C4'-P-C4' energy: -47.319 flat angles P-C4'-P energy: -37.428 tors. eta vs tors. theta energy: -15.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -478.838502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.838502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.838502 (E_RNA) where: Base-Base interactions energy: -300.968 where: short stacking energy: -142.826 Base-Backbone interact. energy: 0.275 local terms energy: -178.145551 where: bonds (distance) C4'-P energy: -48.551 bonds (distance) P-C4' energy: -42.272 flat angles C4'-P-C4' energy: -49.543 flat angles P-C4'-P energy: -30.093 tors. eta vs tors. theta energy: -7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -335.612122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.612122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.612122 (E_RNA) where: Base-Base interactions energy: -149.923 where: short stacking energy: -86.421 Base-Backbone interact. energy: -0.645 local terms energy: -185.044125 where: bonds (distance) C4'-P energy: -46.535 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -50.764 flat angles P-C4'-P energy: -35.129 tors. eta vs tors. theta energy: 2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1010.684839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.684839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.684839 (E_RNA) where: Base-Base interactions energy: -708.864 where: short stacking energy: -284.554 Base-Backbone interact. energy: -0.747 local terms energy: -301.073707 where: bonds (distance) C4'-P energy: -50.382 bonds (distance) P-C4' energy: -66.270 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -74.605 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: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -936.432317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.432317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.432317 (E_RNA) where: Base-Base interactions energy: -647.619 where: short stacking energy: -288.801 Base-Backbone interact. energy: -0.574 local terms energy: -288.238952 where: bonds (distance) C4'-P energy: -53.865 bonds (distance) P-C4' energy: -56.622 flat angles C4'-P-C4' energy: -57.164 flat angles P-C4'-P energy: -37.738 tors. eta vs tors. theta energy: -82.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -886.523966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.523966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.523966 (E_RNA) where: Base-Base interactions energy: -618.563 where: short stacking energy: -243.458 Base-Backbone interact. energy: 0.758 local terms energy: -268.718568 where: bonds (distance) C4'-P energy: -40.094 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -64.688 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -63.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -891.798845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.798845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.798845 (E_RNA) where: Base-Base interactions energy: -609.686 where: short stacking energy: -260.922 Base-Backbone interact. energy: -1.285 local terms energy: -280.827828 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -65.556 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: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -802.929205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.929205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.929205 (E_RNA) where: Base-Base interactions energy: -551.151 where: short stacking energy: -236.057 Base-Backbone interact. energy: -1.448 local terms energy: -250.330271 where: bonds (distance) C4'-P energy: -56.682 bonds (distance) P-C4' energy: -40.262 flat angles C4'-P-C4' energy: -52.226 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: -65.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -722.544607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.544607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.544607 (E_RNA) where: Base-Base interactions energy: -487.259 where: short stacking energy: -203.537 Base-Backbone interact. energy: 1.334 local terms energy: -236.619428 where: bonds (distance) C4'-P energy: -52.464 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -56.199 flat angles P-C4'-P energy: -32.595 tors. eta vs tors. theta energy: -40.922 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -691.561788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.561788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.561788 (E_RNA) where: Base-Base interactions energy: -463.018 where: short stacking energy: -212.653 Base-Backbone interact. energy: -0.369 local terms energy: -228.174606 where: bonds (distance) C4'-P energy: -39.097 bonds (distance) P-C4' energy: -52.570 flat angles C4'-P-C4' energy: -48.691 flat angles P-C4'-P energy: -35.986 tors. eta vs tors. theta energy: -51.831 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: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -491.142358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.142358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.142358 (E_RNA) where: Base-Base interactions energy: -285.692 where: short stacking energy: -124.886 Base-Backbone interact. energy: 1.040 local terms energy: -206.490278 where: bonds (distance) C4'-P energy: -50.175 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -46.593 flat angles P-C4'-P energy: -34.950 tors. eta vs tors. theta energy: -15.781 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: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -452.785473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.785473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.785473 (E_RNA) where: Base-Base interactions energy: -265.265 where: short stacking energy: -125.508 Base-Backbone interact. energy: -0.320 local terms energy: -187.200409 where: bonds (distance) C4'-P energy: -51.015 bonds (distance) P-C4' energy: -41.013 flat angles C4'-P-C4' energy: -49.510 flat angles P-C4'-P energy: -29.334 tors. eta vs tors. theta energy: -16.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -316.817656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.817656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.817656 (E_RNA) where: Base-Base interactions energy: -163.355 where: short stacking energy: -82.644 Base-Backbone interact. energy: 1.029 local terms energy: -154.491426 where: bonds (distance) C4'-P energy: -43.636 bonds (distance) P-C4' energy: -41.344 flat angles C4'-P-C4' energy: -43.373 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: 3.594 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: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1008.857641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.857641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.857641 (E_RNA) where: Base-Base interactions energy: -699.680 where: short stacking energy: -293.815 Base-Backbone interact. energy: -1.374 local terms energy: -307.803584 where: bonds (distance) C4'-P energy: -59.527 bonds (distance) P-C4' energy: -60.441 flat angles C4'-P-C4' energy: -65.890 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: -77.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -927.245660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.245660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.245660 (E_RNA) where: Base-Base interactions energy: -652.578 where: short stacking energy: -291.718 Base-Backbone interact. energy: -0.442 local terms energy: -274.225435 where: bonds (distance) C4'-P energy: -44.058 bonds (distance) P-C4' energy: -55.711 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -33.791 tors. eta vs tors. theta energy: -77.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -945.399997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.399997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.399997 (E_RNA) where: Base-Base interactions energy: -656.719 where: short stacking energy: -277.534 Base-Backbone interact. energy: -1.075 local terms energy: -287.605497 where: bonds (distance) C4'-P energy: -63.339 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -54.797 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -70.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -861.853632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.853632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.853632 (E_RNA) where: Base-Base interactions energy: -612.401 where: short stacking energy: -240.472 Base-Backbone interact. energy: -0.601 local terms energy: -248.851626 where: bonds (distance) C4'-P energy: -47.935 bonds (distance) P-C4' energy: -43.377 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -59.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -844.794821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.794821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.794821 (E_RNA) where: Base-Base interactions energy: -572.824 where: short stacking energy: -259.769 Base-Backbone interact. energy: -1.165 local terms energy: -270.805888 where: bonds (distance) C4'-P energy: -43.246 bonds (distance) P-C4' energy: -55.668 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -35.812 tors. eta vs tors. theta energy: -79.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -797.412047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.412047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.412047 (E_RNA) where: Base-Base interactions energy: -570.884 where: short stacking energy: -237.722 Base-Backbone interact. energy: -0.774 local terms energy: -225.754443 where: bonds (distance) C4'-P energy: -44.498 bonds (distance) P-C4' energy: -45.687 flat angles C4'-P-C4' energy: -51.952 flat angles P-C4'-P energy: -28.996 tors. eta vs tors. theta energy: -54.621 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: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -691.877922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.877922 (E_RNA) where: Base-Base interactions energy: -464.474 where: short stacking energy: -194.838 Base-Backbone interact. energy: -0.391 local terms energy: -227.012580 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -46.818 flat angles C4'-P-C4' energy: -45.406 flat angles P-C4'-P energy: -29.221 tors. eta vs tors. theta energy: -51.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -496.290760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.290760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.290760 (E_RNA) where: Base-Base interactions energy: -282.860 where: short stacking energy: -152.317 Base-Backbone interact. energy: -1.603 local terms energy: -211.827810 where: bonds (distance) C4'-P energy: -43.957 bonds (distance) P-C4' energy: -43.306 flat angles C4'-P-C4' energy: -63.736 flat angles P-C4'-P energy: -28.265 tors. eta vs tors. theta energy: -32.565 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: 84 Temperature: 1.300000 Total energy: -522.905488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.905488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.905488 (E_RNA) where: Base-Base interactions energy: -320.246 where: short stacking energy: -159.057 Base-Backbone interact. energy: -0.773 local terms energy: -201.886502 where: bonds (distance) C4'-P energy: -47.116 bonds (distance) P-C4' energy: -47.286 flat angles C4'-P-C4' energy: -44.041 flat angles P-C4'-P energy: -32.944 tors. eta vs tors. theta energy: -30.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -360.938910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.938910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.938910 (E_RNA) where: Base-Base interactions energy: -193.206 where: short stacking energy: -108.680 Base-Backbone interact. energy: -1.927 local terms energy: -165.805653 where: bonds (distance) C4'-P energy: -50.179 bonds (distance) P-C4' energy: -43.462 flat angles C4'-P-C4' energy: -43.151 flat angles P-C4'-P energy: -25.291 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1015.862996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.862996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.862996 (E_RNA) where: Base-Base interactions energy: -718.729 where: short stacking energy: -297.019 Base-Backbone interact. energy: -1.571 local terms energy: -295.562867 where: bonds (distance) C4'-P energy: -55.118 bonds (distance) P-C4' energy: -48.197 flat angles C4'-P-C4' energy: -68.342 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -75.229 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: 85 Temperature: 0.950000 Total energy: -928.316933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.316933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.316933 (E_RNA) where: Base-Base interactions energy: -660.570 where: short stacking energy: -278.386 Base-Backbone interact. energy: -1.777 local terms energy: -265.970762 where: bonds (distance) C4'-P energy: -49.618 bonds (distance) P-C4' energy: -52.504 flat angles C4'-P-C4' energy: -58.942 flat angles P-C4'-P energy: -33.211 tors. eta vs tors. theta energy: -71.695 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: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -910.963295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.963295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.963295 (E_RNA) where: Base-Base interactions energy: -628.067 where: short stacking energy: -280.266 Base-Backbone interact. energy: -0.405 local terms energy: -282.491067 where: bonds (distance) C4'-P energy: -41.914 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -63.284 flat angles P-C4'-P energy: -39.831 tors. eta vs tors. theta energy: -81.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -888.810477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.810477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.810477 (E_RNA) where: Base-Base interactions energy: -613.719 where: short stacking energy: -274.577 Base-Backbone interact. energy: 0.312 local terms energy: -275.403665 where: bonds (distance) C4'-P energy: -57.157 bonds (distance) P-C4' energy: -59.197 flat angles C4'-P-C4' energy: -56.922 flat angles P-C4'-P energy: -28.293 tors. eta vs tors. theta energy: -73.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -852.305007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.305007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.305007 (E_RNA) where: Base-Base interactions energy: -598.134 where: short stacking energy: -246.654 Base-Backbone interact. energy: -1.332 local terms energy: -252.839582 where: bonds (distance) C4'-P energy: -56.348 bonds (distance) P-C4' energy: -43.288 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -58.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -803.969945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.969945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.969945 (E_RNA) where: Base-Base interactions energy: -545.309 where: short stacking energy: -234.811 Base-Backbone interact. energy: 1.920 local terms energy: -260.580211 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -47.606 flat angles C4'-P-C4' energy: -57.709 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -55.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -654.070163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.070163 (E_RNA) where: Base-Base interactions energy: -413.313 where: short stacking energy: -192.384 Base-Backbone interact. energy: -0.206 local terms energy: -240.550404 where: bonds (distance) C4'-P energy: -51.898 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -51.002 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: -44.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -527.415225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.415225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.415225 (E_RNA) where: Base-Base interactions energy: -307.608 where: short stacking energy: -140.335 Base-Backbone interact. energy: -0.464 local terms energy: -219.343275 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -53.332 flat angles P-C4'-P energy: -31.852 tors. eta vs tors. theta energy: -25.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -460.606039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.606039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.606039 (E_RNA) where: Base-Base interactions energy: -261.307 where: short stacking energy: -117.346 Base-Backbone interact. energy: 0.774 local terms energy: -200.073093 where: bonds (distance) C4'-P energy: -49.824 bonds (distance) P-C4' energy: -44.208 flat angles C4'-P-C4' energy: -55.325 flat angles P-C4'-P energy: -36.012 tors. eta vs tors. theta energy: -14.704 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -373.092127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.092127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.092127 (E_RNA) where: Base-Base interactions energy: -197.770 where: short stacking energy: -109.983 Base-Backbone interact. energy: 0.751 local terms energy: -176.072996 where: bonds (distance) C4'-P energy: -43.793 bonds (distance) P-C4' energy: -52.982 flat angles C4'-P-C4' energy: -50.565 flat angles P-C4'-P energy: -24.710 tors. eta vs tors. theta energy: -4.023 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: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1005.418681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.418681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.418681 (E_RNA) where: Base-Base interactions energy: -699.337 where: short stacking energy: -290.127 Base-Backbone interact. energy: 5.067 local terms energy: -311.149092 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -58.589 flat angles C4'-P-C4' energy: -65.174 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -78.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -944.779603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.779603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.779603 (E_RNA) where: Base-Base interactions energy: -655.605 where: short stacking energy: -268.680 Base-Backbone interact. energy: -1.535 local terms energy: -287.640117 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -63.725 flat angles P-C4'-P energy: -42.112 tors. eta vs tors. theta energy: -70.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -907.233491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.233491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.233491 (E_RNA) where: Base-Base interactions energy: -602.957 where: short stacking energy: -279.445 Base-Backbone interact. energy: -0.322 local terms energy: -303.954219 where: bonds (distance) C4'-P energy: -58.006 bonds (distance) P-C4' energy: -66.436 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -37.914 tors. eta vs tors. theta energy: -75.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -871.440004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.440004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.440004 (E_RNA) where: Base-Base interactions energy: -600.164 where: short stacking energy: -254.481 Base-Backbone interact. energy: -1.322 local terms energy: -269.953359 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -50.824 flat angles C4'-P-C4' energy: -59.235 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -69.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -863.522928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.522928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.522928 (E_RNA) where: Base-Base interactions energy: -596.006 where: short stacking energy: -238.949 Base-Backbone interact. energy: -0.355 local terms energy: -267.161492 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -55.663 flat angles C4'-P-C4' energy: -51.350 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: -57.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -780.291439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.291439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.291439 (E_RNA) where: Base-Base interactions energy: -529.575 where: short stacking energy: -213.640 Base-Backbone interact. energy: -0.647 local terms energy: -250.069499 where: bonds (distance) C4'-P energy: -55.704 bonds (distance) P-C4' energy: -49.883 flat angles C4'-P-C4' energy: -54.483 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -51.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -600.704654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.704654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.704654 (E_RNA) where: Base-Base interactions energy: -376.202 where: short stacking energy: -181.070 Base-Backbone interact. energy: -0.189 local terms energy: -224.313693 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -47.342 flat angles P-C4'-P energy: -38.347 tors. eta vs tors. theta energy: -32.798 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: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -537.751618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.751618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.751618 (E_RNA) where: Base-Base interactions energy: -328.228 where: short stacking energy: -179.033 Base-Backbone interact. energy: -0.498 local terms energy: -209.026104 where: bonds (distance) C4'-P energy: -44.349 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -44.323 flat angles P-C4'-P energy: -28.941 tors. eta vs tors. theta energy: -33.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -442.370743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.370743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.370743 (E_RNA) where: Base-Base interactions energy: -255.364 where: short stacking energy: -138.140 Base-Backbone interact. energy: -0.705 local terms energy: -186.301650 where: bonds (distance) C4'-P energy: -45.894 bonds (distance) P-C4' energy: -51.317 flat angles C4'-P-C4' energy: -39.970 flat angles P-C4'-P energy: -28.890 tors. eta vs tors. theta energy: -20.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -315.605178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.605178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.605178 (E_RNA) where: Base-Base interactions energy: -160.463 where: short stacking energy: -95.155 Base-Backbone interact. energy: 5.227 local terms energy: -160.369155 where: bonds (distance) C4'-P energy: -37.401 bonds (distance) P-C4' energy: -53.386 flat angles C4'-P-C4' energy: -38.253 flat angles P-C4'-P energy: -29.476 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1007.424122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.424122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.424122 (E_RNA) where: Base-Base interactions energy: -699.808 where: short stacking energy: -284.245 Base-Backbone interact. energy: -0.331 local terms energy: -307.285083 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -56.074 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -78.154 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: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -916.457282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.457282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.457282 (E_RNA) where: Base-Base interactions energy: -613.209 where: short stacking energy: -281.299 Base-Backbone interact. energy: -0.088 local terms energy: -303.159946 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -62.014 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -75.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -907.655728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.655728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.655728 (E_RNA) where: Base-Base interactions energy: -626.237 where: short stacking energy: -252.253 Base-Backbone interact. energy: -1.967 local terms energy: -279.451683 where: bonds (distance) C4'-P energy: -54.470 bonds (distance) P-C4' energy: -47.970 flat angles C4'-P-C4' energy: -65.295 flat angles P-C4'-P energy: -34.673 tors. eta vs tors. theta energy: -77.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -862.926610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.926610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.926610 (E_RNA) where: Base-Base interactions energy: -601.498 where: short stacking energy: -247.980 Base-Backbone interact. energy: -1.918 local terms energy: -259.511049 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -50.828 flat angles C4'-P-C4' energy: -50.961 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -54.627 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -860.217043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.217043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.217043 (E_RNA) where: Base-Base interactions energy: -589.872 where: short stacking energy: -258.163 Base-Backbone interact. energy: -1.127 local terms energy: -269.217300 where: bonds (distance) C4'-P energy: -51.327 bonds (distance) P-C4' energy: -43.362 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: -73.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -780.771257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.771257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.771257 (E_RNA) where: Base-Base interactions energy: -540.510 where: short stacking energy: -212.708 Base-Backbone interact. energy: -1.318 local terms energy: -238.943550 where: bonds (distance) C4'-P energy: -46.603 bonds (distance) P-C4' energy: -46.855 flat angles C4'-P-C4' energy: -55.844 flat angles P-C4'-P energy: -39.708 tors. eta vs tors. theta energy: -49.933 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: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -623.695948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.695948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.695948 (E_RNA) where: Base-Base interactions energy: -413.662 where: short stacking energy: -185.994 Base-Backbone interact. energy: -1.199 local terms energy: -208.834802 where: bonds (distance) C4'-P energy: -51.181 bonds (distance) P-C4' energy: -52.688 flat angles C4'-P-C4' energy: -34.557 flat angles P-C4'-P energy: -21.587 tors. eta vs tors. theta energy: -48.821 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: 87 Temperature: 1.250000 Total energy: -467.753329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.753329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.753329 (E_RNA) where: Base-Base interactions energy: -267.782 where: short stacking energy: -120.602 Base-Backbone interact. energy: 0.075 local terms energy: -200.046480 where: bonds (distance) C4'-P energy: -50.735 bonds (distance) P-C4' energy: -55.590 flat angles C4'-P-C4' energy: -43.803 flat angles P-C4'-P energy: -40.721 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: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -474.545235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.545235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.545235 (E_RNA) where: Base-Base interactions energy: -278.986 where: short stacking energy: -130.458 Base-Backbone interact. energy: -0.794 local terms energy: -194.765485 where: bonds (distance) C4'-P energy: -52.229 bonds (distance) P-C4' energy: -46.472 flat angles C4'-P-C4' energy: -40.635 flat angles P-C4'-P energy: -32.492 tors. eta vs tors. theta energy: -22.937 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: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -325.577503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.577503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.577503 (E_RNA) where: Base-Base interactions energy: -148.568 where: short stacking energy: -91.230 Base-Backbone interact. energy: -2.006 local terms energy: -175.002785 where: bonds (distance) C4'-P energy: -45.110 bonds (distance) P-C4' energy: -54.713 flat angles C4'-P-C4' energy: -47.164 flat angles P-C4'-P energy: -22.753 tors. eta vs tors. theta energy: -5.262 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: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1014.751760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.751760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.751760 (E_RNA) where: Base-Base interactions energy: -720.548 where: short stacking energy: -294.543 Base-Backbone interact. energy: -2.344 local terms energy: -291.859763 where: bonds (distance) C4'-P energy: -57.595 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -41.228 tors. eta vs tors. theta energy: -73.980 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: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -920.523003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.523003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.523003 (E_RNA) where: Base-Base interactions energy: -618.953 where: short stacking energy: -276.072 Base-Backbone interact. energy: -0.145 local terms energy: -301.425149 where: bonds (distance) C4'-P energy: -60.742 bonds (distance) P-C4' energy: -53.940 flat angles C4'-P-C4' energy: -61.863 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -77.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -890.442167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.442167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.442167 (E_RNA) where: Base-Base interactions energy: -642.201 where: short stacking energy: -261.677 Base-Backbone interact. energy: 0.054 local terms energy: -248.295484 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -53.883 flat angles C4'-P-C4' energy: -45.914 flat angles P-C4'-P energy: -27.109 tors. eta vs tors. theta energy: -62.855 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: 88 Temperature: 1.050000 Total energy: -920.693703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.693703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.693703 (E_RNA) where: Base-Base interactions energy: -653.844 where: short stacking energy: -261.765 Base-Backbone interact. energy: -2.032 local terms energy: -264.817759 where: bonds (distance) C4'-P energy: -58.702 bonds (distance) P-C4' energy: -44.383 flat angles C4'-P-C4' energy: -55.232 flat angles P-C4'-P energy: -37.938 tors. eta vs tors. theta energy: -68.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -802.335415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.335415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.335415 (E_RNA) where: Base-Base interactions energy: -551.915 where: short stacking energy: -227.352 Base-Backbone interact. energy: -1.584 local terms energy: -248.836814 where: bonds (distance) C4'-P energy: -52.105 bonds (distance) P-C4' energy: -54.339 flat angles C4'-P-C4' energy: -60.096 flat angles P-C4'-P energy: -35.211 tors. eta vs tors. theta energy: -47.086 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: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -791.303468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.303468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.303468 (E_RNA) where: Base-Base interactions energy: -530.233 where: short stacking energy: -231.758 Base-Backbone interact. energy: -1.087 local terms energy: -259.982898 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -47.882 flat angles C4'-P-C4' energy: -57.109 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: -62.120 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: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -628.211968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.211968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.211968 (E_RNA) where: Base-Base interactions energy: -397.376 where: short stacking energy: -199.407 Base-Backbone interact. energy: -0.758 local terms energy: -230.077259 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -55.981 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -14.623 tors. eta vs tors. theta energy: -46.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -527.986836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.986836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.986836 (E_RNA) where: Base-Base interactions energy: -319.699 where: short stacking energy: -152.923 Base-Backbone interact. energy: 0.751 local terms energy: -209.039099 where: bonds (distance) C4'-P energy: -50.204 bonds (distance) P-C4' energy: -51.748 flat angles C4'-P-C4' energy: -49.298 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -19.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -497.897199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.897199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.897199 (E_RNA) where: Base-Base interactions energy: -315.565 where: short stacking energy: -160.053 Base-Backbone interact. energy: 2.913 local terms energy: -185.245107 where: bonds (distance) C4'-P energy: -48.607 bonds (distance) P-C4' energy: -47.444 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -12.295 tors. eta vs tors. theta energy: -18.766 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: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -323.787130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.787130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.787130 (E_RNA) where: Base-Base interactions energy: -150.277 where: short stacking energy: -83.020 Base-Backbone interact. energy: -1.733 local terms energy: -171.776589 where: bonds (distance) C4'-P energy: -51.236 bonds (distance) P-C4' energy: -42.648 flat angles C4'-P-C4' energy: -35.583 flat angles P-C4'-P energy: -38.143 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1021.757087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.757087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.757087 (E_RNA) where: Base-Base interactions energy: -709.452 where: short stacking energy: -299.000 Base-Backbone interact. energy: -0.454 local terms energy: -311.850707 where: bonds (distance) C4'-P energy: -65.174 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -44.983 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: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -923.479117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.479117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.479117 (E_RNA) where: Base-Base interactions energy: -627.328 where: short stacking energy: -277.952 Base-Backbone interact. energy: 0.277 local terms energy: -296.428056 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -56.298 flat angles C4'-P-C4' energy: -61.794 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -76.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -871.428519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.428519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.428519 (E_RNA) where: Base-Base interactions energy: -618.646 where: short stacking energy: -250.068 Base-Backbone interact. energy: -0.979 local terms energy: -251.804120 where: bonds (distance) C4'-P energy: -44.420 bonds (distance) P-C4' energy: -50.811 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -30.721 tors. eta vs tors. theta energy: -56.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -911.198569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.198569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.198569 (E_RNA) where: Base-Base interactions energy: -644.981 where: short stacking energy: -273.445 Base-Backbone interact. energy: -1.388 local terms energy: -264.829101 where: bonds (distance) C4'-P energy: -49.049 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -58.131 flat angles P-C4'-P energy: -32.477 tors. eta vs tors. theta energy: -70.726 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: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -825.334899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.334899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.334899 (E_RNA) where: Base-Base interactions energy: -561.628 where: short stacking energy: -242.401 Base-Backbone interact. energy: -2.275 local terms energy: -261.431637 where: bonds (distance) C4'-P energy: -59.512 bonds (distance) P-C4' energy: -46.870 flat angles C4'-P-C4' energy: -54.191 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -60.892 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: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -819.264376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.264376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.264376 (E_RNA) where: Base-Base interactions energy: -557.335 where: short stacking energy: -220.220 Base-Backbone interact. energy: -1.899 local terms energy: -260.030640 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -49.934 flat angles P-C4'-P energy: -37.830 tors. eta vs tors. theta energy: -65.780 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -603.611568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.611568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.611568 (E_RNA) where: Base-Base interactions energy: -387.629 where: short stacking energy: -184.803 Base-Backbone interact. energy: 1.244 local terms energy: -217.226751 where: bonds (distance) C4'-P energy: -44.053 bonds (distance) P-C4' energy: -53.166 flat angles C4'-P-C4' energy: -49.846 flat angles P-C4'-P energy: -31.025 tors. eta vs tors. theta energy: -39.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -529.875003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.875003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.875003 (E_RNA) where: Base-Base interactions energy: -338.569 where: short stacking energy: -165.027 Base-Backbone interact. energy: -4.590 local terms energy: -186.715464 where: bonds (distance) C4'-P energy: -35.574 bonds (distance) P-C4' energy: -50.524 flat angles C4'-P-C4' energy: -51.260 flat angles P-C4'-P energy: -23.801 tors. eta vs tors. theta energy: -25.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -512.886931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.886931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.886931 (E_RNA) where: Base-Base interactions energy: -314.313 where: short stacking energy: -160.972 Base-Backbone interact. energy: -0.224 local terms energy: -198.349193 where: bonds (distance) C4'-P energy: -48.504 bonds (distance) P-C4' energy: -53.109 flat angles C4'-P-C4' energy: -49.625 flat angles P-C4'-P energy: -27.073 tors. eta vs tors. theta energy: -20.038 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: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -342.217336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.217336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.217336 (E_RNA) where: Base-Base interactions energy: -158.857 where: short stacking energy: -79.134 Base-Backbone interact. energy: -1.937 local terms energy: -181.422588 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -39.091 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1010.758698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.758698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.758698 (E_RNA) where: Base-Base interactions energy: -705.050 where: short stacking energy: -291.262 Base-Backbone interact. energy: 3.902 local terms energy: -309.611267 where: bonds (distance) C4'-P energy: -55.298 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -62.190 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -84.557 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: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -957.142076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.142076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.142076 (E_RNA) where: Base-Base interactions energy: -661.763 where: short stacking energy: -299.480 Base-Backbone interact. energy: 0.614 local terms energy: -295.992443 where: bonds (distance) C4'-P energy: -55.207 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -65.608 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -77.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -906.308613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.308613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.308613 (E_RNA) where: Base-Base interactions energy: -627.236 where: short stacking energy: -257.124 Base-Backbone interact. energy: 1.788 local terms energy: -280.860595 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -53.986 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -58.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -864.753618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.753618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.753618 (E_RNA) where: Base-Base interactions energy: -603.168 where: short stacking energy: -252.434 Base-Backbone interact. energy: -0.184 local terms energy: -261.401596 where: bonds (distance) C4'-P energy: -42.365 bonds (distance) P-C4' energy: -56.214 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -39.161 tors. eta vs tors. theta energy: -60.987 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: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -841.805639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.805639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.805639 (E_RNA) where: Base-Base interactions energy: -580.769 where: short stacking energy: -252.701 Base-Backbone interact. energy: -3.273 local terms energy: -257.763655 where: bonds (distance) C4'-P energy: -53.158 bonds (distance) P-C4' energy: -58.288 flat angles C4'-P-C4' energy: -45.486 flat angles P-C4'-P energy: -25.417 tors. eta vs tors. theta energy: -75.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -779.649906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.649906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.649906 (E_RNA) where: Base-Base interactions energy: -533.826 where: short stacking energy: -212.332 Base-Backbone interact. energy: -1.251 local terms energy: -244.573484 where: bonds (distance) C4'-P energy: -44.907 bonds (distance) P-C4' energy: -46.231 flat angles C4'-P-C4' energy: -61.633 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -55.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -604.713107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.713107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.713107 (E_RNA) where: Base-Base interactions energy: -381.977 where: short stacking energy: -164.266 Base-Backbone interact. energy: -0.995 local terms energy: -221.741229 where: bonds (distance) C4'-P energy: -50.545 bonds (distance) P-C4' energy: -51.365 flat angles C4'-P-C4' energy: -56.787 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: -33.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -512.948125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.948125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.948125 (E_RNA) where: Base-Base interactions energy: -324.742 where: short stacking energy: -147.869 Base-Backbone interact. energy: -0.348 local terms energy: -187.858377 where: bonds (distance) C4'-P energy: -51.778 bonds (distance) P-C4' energy: -48.614 flat angles C4'-P-C4' energy: -44.483 flat angles P-C4'-P energy: -28.812 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -507.556736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.556736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.556736 (E_RNA) where: Base-Base interactions energy: -302.361 where: short stacking energy: -142.783 Base-Backbone interact. energy: -1.581 local terms energy: -203.614540 where: bonds (distance) C4'-P energy: -51.142 bonds (distance) P-C4' energy: -57.063 flat angles C4'-P-C4' energy: -55.248 flat angles P-C4'-P energy: -28.182 tors. eta vs tors. theta energy: -11.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -412.359841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.359841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.359841 (E_RNA) where: Base-Base interactions energy: -244.104 where: short stacking energy: -118.282 Base-Backbone interact. energy: -1.692 local terms energy: -166.563143 where: bonds (distance) C4'-P energy: -48.988 bonds (distance) P-C4' energy: -40.027 flat angles C4'-P-C4' energy: -46.116 flat angles P-C4'-P energy: -26.234 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1002.244322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.244322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.244322 (E_RNA) where: Base-Base interactions energy: -694.518 where: short stacking energy: -289.704 Base-Backbone interact. energy: -0.723 local terms energy: -307.003363 where: bonds (distance) C4'-P energy: -55.105 bonds (distance) P-C4' energy: -54.335 flat angles C4'-P-C4' energy: -68.779 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -81.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -938.403093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.403093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.403093 (E_RNA) where: Base-Base interactions energy: -647.197 where: short stacking energy: -291.460 Base-Backbone interact. energy: -0.442 local terms energy: -290.764202 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -56.927 flat angles P-C4'-P energy: -41.116 tors. eta vs tors. theta energy: -79.633 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: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -933.130590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.130590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.130590 (E_RNA) where: Base-Base interactions energy: -648.230 where: short stacking energy: -278.186 Base-Backbone interact. energy: -0.484 local terms energy: -284.416655 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -61.956 flat angles C4'-P-C4' energy: -64.588 flat angles P-C4'-P energy: -32.250 tors. eta vs tors. theta energy: -75.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -859.915965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.915965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.915965 (E_RNA) where: Base-Base interactions energy: -598.960 where: short stacking energy: -251.274 Base-Backbone interact. energy: -0.643 local terms energy: -260.313759 where: bonds (distance) C4'-P energy: -59.372 bonds (distance) P-C4' energy: -52.835 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -33.205 tors. eta vs tors. theta energy: -54.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -830.891847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.891847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.891847 (E_RNA) where: Base-Base interactions energy: -577.040 where: short stacking energy: -238.862 Base-Backbone interact. energy: 1.197 local terms energy: -255.048569 where: bonds (distance) C4'-P energy: -56.976 bonds (distance) P-C4' energy: -53.894 flat angles C4'-P-C4' energy: -51.641 flat angles P-C4'-P energy: -33.903 tors. eta vs tors. theta energy: -58.635 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: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -773.935790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.935790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.935790 (E_RNA) where: Base-Base interactions energy: -537.181 where: short stacking energy: -216.467 Base-Backbone interact. energy: -1.207 local terms energy: -235.547647 where: bonds (distance) C4'-P energy: -44.132 bonds (distance) P-C4' energy: -44.492 flat angles C4'-P-C4' energy: -60.610 flat angles P-C4'-P energy: -33.797 tors. eta vs tors. theta energy: -52.516 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: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -612.470738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.470738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.470738 (E_RNA) where: Base-Base interactions energy: -385.544 where: short stacking energy: -175.673 Base-Backbone interact. energy: 0.038 local terms energy: -226.964854 where: bonds (distance) C4'-P energy: -49.358 bonds (distance) P-C4' energy: -64.112 flat angles C4'-P-C4' energy: -52.545 flat angles P-C4'-P energy: -27.538 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -481.951119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.951119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.951119 (E_RNA) where: Base-Base interactions energy: -297.384 where: short stacking energy: -135.079 Base-Backbone interact. energy: 1.358 local terms energy: -185.924143 where: bonds (distance) C4'-P energy: -43.424 bonds (distance) P-C4' energy: -47.405 flat angles C4'-P-C4' energy: -52.068 flat angles P-C4'-P energy: -29.387 tors. eta vs tors. theta energy: -13.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -501.253929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.253929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.253929 (E_RNA) where: Base-Base interactions energy: -290.569 where: short stacking energy: -141.453 Base-Backbone interact. energy: -1.606 local terms energy: -209.079042 where: bonds (distance) C4'-P energy: -43.427 bonds (distance) P-C4' energy: -49.885 flat angles C4'-P-C4' energy: -52.515 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -31.435 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: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -388.806163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.806163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.806163 (E_RNA) where: Base-Base interactions energy: -250.195 where: short stacking energy: -128.304 Base-Backbone interact. energy: -1.367 local terms energy: -137.243645 where: bonds (distance) C4'-P energy: -50.955 bonds (distance) P-C4' energy: -32.583 flat angles C4'-P-C4' energy: -27.416 flat angles P-C4'-P energy: -21.895 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1012.287498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.287498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.287498 (E_RNA) where: Base-Base interactions energy: -714.255 where: short stacking energy: -304.900 Base-Backbone interact. energy: -2.599 local terms energy: -295.433040 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -59.335 flat angles P-C4'-P energy: -42.316 tors. eta vs tors. theta energy: -76.549 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: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -922.410285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.410285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.410285 (E_RNA) where: Base-Base interactions energy: -624.009 where: short stacking energy: -263.722 Base-Backbone interact. energy: 1.189 local terms energy: -299.591076 where: bonds (distance) C4'-P energy: -49.578 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -71.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -945.208129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.208129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.208129 (E_RNA) where: Base-Base interactions energy: -663.710 where: short stacking energy: -285.131 Base-Backbone interact. energy: -1.054 local terms energy: -280.444059 where: bonds (distance) C4'-P energy: -56.170 bonds (distance) P-C4' energy: -51.378 flat angles C4'-P-C4' energy: -64.068 flat angles P-C4'-P energy: -33.968 tors. eta vs tors. theta energy: -74.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -847.526255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.526255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.526255 (E_RNA) where: Base-Base interactions energy: -576.353 where: short stacking energy: -262.267 Base-Backbone interact. energy: -0.771 local terms energy: -270.402141 where: bonds (distance) C4'-P energy: -49.344 bonds (distance) P-C4' energy: -58.358 flat angles C4'-P-C4' energy: -59.147 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -62.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -839.119454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.119454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.119454 (E_RNA) where: Base-Base interactions energy: -580.277 where: short stacking energy: -255.870 Base-Backbone interact. energy: -2.994 local terms energy: -255.848631 where: bonds (distance) C4'-P energy: -53.930 bonds (distance) P-C4' energy: -42.860 flat angles C4'-P-C4' energy: -57.693 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -65.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -789.865922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.865922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.865922 (E_RNA) where: Base-Base interactions energy: -542.237 where: short stacking energy: -222.733 Base-Backbone interact. energy: -1.301 local terms energy: -246.328174 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -46.489 flat angles C4'-P-C4' energy: -50.782 flat angles P-C4'-P energy: -41.179 tors. eta vs tors. theta energy: -53.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -617.600367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.600367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.600367 (E_RNA) where: Base-Base interactions energy: -407.796 where: short stacking energy: -180.810 Base-Backbone interact. energy: -1.154 local terms energy: -208.650185 where: bonds (distance) C4'-P energy: -47.169 bonds (distance) P-C4' energy: -39.254 flat angles C4'-P-C4' energy: -42.801 flat angles P-C4'-P energy: -35.727 tors. eta vs tors. theta energy: -43.700 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: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -466.429842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.429842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.429842 (E_RNA) where: Base-Base interactions energy: -286.299 where: short stacking energy: -140.679 Base-Backbone interact. energy: 0.736 local terms energy: -180.866741 where: bonds (distance) C4'-P energy: -39.303 bonds (distance) P-C4' energy: -38.609 flat angles C4'-P-C4' energy: -33.019 flat angles P-C4'-P energy: -42.551 tors. eta vs tors. theta energy: -27.386 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -514.603547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.603547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.603547 (E_RNA) where: Base-Base interactions energy: -310.340 where: short stacking energy: -157.474 Base-Backbone interact. energy: 0.571 local terms energy: -204.833761 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -52.807 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -22.652 tors. eta vs tors. theta energy: -23.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -377.433418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.433418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.433418 (E_RNA) where: Base-Base interactions energy: -215.884 where: short stacking energy: -124.378 Base-Backbone interact. energy: 1.799 local terms energy: -163.348274 where: bonds (distance) C4'-P energy: -48.623 bonds (distance) P-C4' energy: -46.204 flat angles C4'-P-C4' energy: -43.142 flat angles P-C4'-P energy: -16.217 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1018.584777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.584777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.584777 (E_RNA) where: Base-Base interactions energy: -714.352 where: short stacking energy: -300.826 Base-Backbone interact. energy: -1.414 local terms energy: -302.818475 where: bonds (distance) C4'-P energy: -52.853 bonds (distance) P-C4' energy: -54.614 flat angles C4'-P-C4' energy: -64.821 flat angles P-C4'-P energy: -44.529 tors. eta vs tors. theta energy: -86.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -936.855116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.855116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.855116 (E_RNA) where: Base-Base interactions energy: -636.502 where: short stacking energy: -264.357 Base-Backbone interact. energy: -1.364 local terms energy: -298.989984 where: bonds (distance) C4'-P energy: -48.659 bonds (distance) P-C4' energy: -67.477 flat angles C4'-P-C4' energy: -60.277 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -77.760 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: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -916.588843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.588843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.588843 (E_RNA) where: Base-Base interactions energy: -634.764 where: short stacking energy: -277.599 Base-Backbone interact. energy: -2.162 local terms energy: -279.663044 where: bonds (distance) C4'-P energy: -59.278 bonds (distance) P-C4' energy: -45.756 flat angles C4'-P-C4' energy: -61.955 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -71.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -847.089457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.089457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.089457 (E_RNA) where: Base-Base interactions energy: -592.574 where: short stacking energy: -246.050 Base-Backbone interact. energy: -0.617 local terms energy: -253.898841 where: bonds (distance) C4'-P energy: -49.039 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -30.831 tors. eta vs tors. theta energy: -55.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -832.559274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.559274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.559274 (E_RNA) where: Base-Base interactions energy: -572.612 where: short stacking energy: -243.913 Base-Backbone interact. energy: -1.862 local terms energy: -258.085028 where: bonds (distance) C4'-P energy: -46.191 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -55.104 flat angles P-C4'-P energy: -28.754 tors. eta vs tors. theta energy: -62.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -794.214503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.214503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.214503 (E_RNA) where: Base-Base interactions energy: -534.282 where: short stacking energy: -234.127 Base-Backbone interact. energy: 0.304 local terms energy: -260.236556 where: bonds (distance) C4'-P energy: -46.369 bonds (distance) P-C4' energy: -53.796 flat angles C4'-P-C4' energy: -65.791 flat angles P-C4'-P energy: -31.548 tors. eta vs tors. theta energy: -62.733 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: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -588.530368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.530368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.530368 (E_RNA) where: Base-Base interactions energy: -362.558 where: short stacking energy: -176.366 Base-Backbone interact. energy: 0.565 local terms energy: -226.537672 where: bonds (distance) C4'-P energy: -50.211 bonds (distance) P-C4' energy: -50.472 flat angles C4'-P-C4' energy: -55.414 flat angles P-C4'-P energy: -23.496 tors. eta vs tors. theta energy: -46.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -546.019131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.019131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.019131 (E_RNA) where: Base-Base interactions energy: -331.842 where: short stacking energy: -162.346 Base-Backbone interact. energy: 1.043 local terms energy: -215.219685 where: bonds (distance) C4'-P energy: -46.096 bonds (distance) P-C4' energy: -55.175 flat angles C4'-P-C4' energy: -47.642 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -31.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -495.840374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.840374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.840374 (E_RNA) where: Base-Base interactions energy: -291.635 where: short stacking energy: -146.736 Base-Backbone interact. energy: -0.418 local terms energy: -203.786547 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -48.050 flat angles C4'-P-C4' energy: -45.615 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -17.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -318.871517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.871517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.871517 (E_RNA) where: Base-Base interactions energy: -173.483 where: short stacking energy: -93.515 Base-Backbone interact. energy: -0.882 local terms energy: -144.506590 where: bonds (distance) C4'-P energy: -46.082 bonds (distance) P-C4' energy: -48.971 flat angles C4'-P-C4' energy: -31.742 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1013.414536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.414536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.414536 (E_RNA) where: Base-Base interactions energy: -691.665 where: short stacking energy: -293.719 Base-Backbone interact. energy: -2.578 local terms energy: -319.171619 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -68.299 flat angles C4'-P-C4' energy: -58.813 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -86.197 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: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -936.464262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.464262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.464262 (E_RNA) where: Base-Base interactions energy: -647.177 where: short stacking energy: -294.661 Base-Backbone interact. energy: -0.696 local terms energy: -288.591750 where: bonds (distance) C4'-P energy: -47.936 bonds (distance) P-C4' energy: -57.537 flat angles C4'-P-C4' energy: -63.561 flat angles P-C4'-P energy: -39.220 tors. eta vs tors. theta energy: -80.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -902.068439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.068439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.068439 (E_RNA) where: Base-Base interactions energy: -608.954 where: short stacking energy: -266.792 Base-Backbone interact. energy: -1.679 local terms energy: -291.434747 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -51.647 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -36.567 tors. eta vs tors. theta energy: -80.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -868.555894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.555894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.555894 (E_RNA) where: Base-Base interactions energy: -599.451 where: short stacking energy: -271.613 Base-Backbone interact. energy: 0.674 local terms energy: -269.778089 where: bonds (distance) C4'-P energy: -50.910 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -63.544 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -69.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -800.426731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.426731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.426731 (E_RNA) where: Base-Base interactions energy: -560.759 where: short stacking energy: -232.990 Base-Backbone interact. energy: -0.489 local terms energy: -239.178437 where: bonds (distance) C4'-P energy: -44.231 bonds (distance) P-C4' energy: -46.945 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -37.149 tors. eta vs tors. theta energy: -53.030 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: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -781.557732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.557732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.557732 (E_RNA) where: Base-Base interactions energy: -527.045 where: short stacking energy: -218.146 Base-Backbone interact. energy: 0.479 local terms energy: -254.991685 where: bonds (distance) C4'-P energy: -50.147 bonds (distance) P-C4' energy: -47.231 flat angles C4'-P-C4' energy: -53.444 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -69.998 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: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -520.140137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.140137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.140137 (E_RNA) where: Base-Base interactions energy: -313.717 where: short stacking energy: -144.396 Base-Backbone interact. energy: -1.668 local terms energy: -204.755531 where: bonds (distance) C4'-P energy: -55.690 bonds (distance) P-C4' energy: -57.733 flat angles C4'-P-C4' energy: -44.625 flat angles P-C4'-P energy: -27.944 tors. eta vs tors. theta energy: -18.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -555.183580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.183580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.183580 (E_RNA) where: Base-Base interactions energy: -364.799 where: short stacking energy: -145.861 Base-Backbone interact. energy: -0.175 local terms energy: -190.209688 where: bonds (distance) C4'-P energy: -34.350 bonds (distance) P-C4' energy: -53.271 flat angles C4'-P-C4' energy: -45.729 flat angles P-C4'-P energy: -30.318 tors. eta vs tors. theta energy: -26.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -430.366245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.366245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.366245 (E_RNA) where: Base-Base interactions energy: -270.526 where: short stacking energy: -130.565 Base-Backbone interact. energy: -0.941 local terms energy: -158.898485 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -36.320 flat angles C4'-P-C4' energy: -34.553 flat angles P-C4'-P energy: -33.108 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -335.882522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.882522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.882522 (E_RNA) where: Base-Base interactions energy: -174.932 where: short stacking energy: -103.913 Base-Backbone interact. energy: 0.136 local terms energy: -161.086755 where: bonds (distance) C4'-P energy: -51.951 bonds (distance) P-C4' energy: -41.218 flat angles C4'-P-C4' energy: -43.984 flat angles P-C4'-P energy: -24.080 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1007.097861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.097861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.097861 (E_RNA) where: Base-Base interactions energy: -695.497 where: short stacking energy: -283.959 Base-Backbone interact. energy: -1.475 local terms energy: -310.126106 where: bonds (distance) C4'-P energy: -53.792 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -77.201 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: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -905.838528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.838528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.838528 (E_RNA) where: Base-Base interactions energy: -619.941 where: short stacking energy: -272.845 Base-Backbone interact. energy: -2.665 local terms energy: -283.232140 where: bonds (distance) C4'-P energy: -59.490 bonds (distance) P-C4' energy: -48.903 flat angles C4'-P-C4' energy: -63.607 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -64.336 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: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -899.660384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.660384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.660384 (E_RNA) where: Base-Base interactions energy: -618.810 where: short stacking energy: -267.501 Base-Backbone interact. energy: -1.130 local terms energy: -279.720496 where: bonds (distance) C4'-P energy: -47.379 bonds (distance) P-C4' energy: -61.802 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -43.790 tors. eta vs tors. theta energy: -64.852 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -831.248877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.248877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.248877 (E_RNA) where: Base-Base interactions energy: -601.778 where: short stacking energy: -245.352 Base-Backbone interact. energy: -1.184 local terms energy: -228.286533 where: bonds (distance) C4'-P energy: -42.601 bonds (distance) P-C4' energy: -42.014 flat angles C4'-P-C4' energy: -58.779 flat angles P-C4'-P energy: -32.021 tors. eta vs tors. theta energy: -52.871 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: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -825.478485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.478485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.478485 (E_RNA) where: Base-Base interactions energy: -559.019 where: short stacking energy: -231.879 Base-Backbone interact. energy: -0.587 local terms energy: -265.872279 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -51.386 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -32.911 tors. eta vs tors. theta energy: -62.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -814.589857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.589857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.589857 (E_RNA) where: Base-Base interactions energy: -563.643 where: short stacking energy: -248.019 Base-Backbone interact. energy: -1.776 local terms energy: -249.170758 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -47.976 flat angles C4'-P-C4' energy: -50.439 flat angles P-C4'-P energy: -33.045 tors. eta vs tors. theta energy: -71.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -546.012999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.012999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.012999 (E_RNA) where: Base-Base interactions energy: -325.678 where: short stacking energy: -161.038 Base-Backbone interact. energy: -1.766 local terms energy: -218.568840 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -51.723 flat angles C4'-P-C4' energy: -55.522 flat angles P-C4'-P energy: -29.880 tors. eta vs tors. theta energy: -29.850 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: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -589.660573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.660573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.660573 (E_RNA) where: Base-Base interactions energy: -369.815 where: short stacking energy: -160.924 Base-Backbone interact. energy: 1.828 local terms energy: -221.673942 where: bonds (distance) C4'-P energy: -52.058 bonds (distance) P-C4' energy: -50.461 flat angles C4'-P-C4' energy: -55.150 flat angles P-C4'-P energy: -23.085 tors. eta vs tors. theta energy: -40.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -452.771724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.771724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.771724 (E_RNA) where: Base-Base interactions energy: -262.753 where: short stacking energy: -119.175 Base-Backbone interact. energy: 0.801 local terms energy: -190.819762 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -44.106 flat angles C4'-P-C4' energy: -52.309 flat angles P-C4'-P energy: -29.603 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -393.125917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.125917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.125917 (E_RNA) where: Base-Base interactions energy: -228.831 where: short stacking energy: -121.149 Base-Backbone interact. energy: 2.780 local terms energy: -167.074610 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -55.023 flat angles C4'-P-C4' energy: -34.965 flat angles P-C4'-P energy: -18.293 tors. eta vs tors. theta energy: -5.438 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: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1027.374486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.374486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.374486 (E_RNA) where: Base-Base interactions energy: -739.439 where: short stacking energy: -276.281 Base-Backbone interact. energy: -1.540 local terms energy: -286.395199 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -54.969 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: -72.633 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: 96 Temperature: 0.950000 Total energy: -927.077151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.077151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.077151 (E_RNA) where: Base-Base interactions energy: -636.387 where: short stacking energy: -270.832 Base-Backbone interact. energy: -1.589 local terms energy: -289.101635 where: bonds (distance) C4'-P energy: -55.632 bonds (distance) P-C4' energy: -64.405 flat angles C4'-P-C4' energy: -55.781 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -66.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -928.067601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.067601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.067601 (E_RNA) where: Base-Base interactions energy: -630.296 where: short stacking energy: -289.082 Base-Backbone interact. energy: -1.039 local terms energy: -296.732856 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -38.064 tors. eta vs tors. theta energy: -81.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -838.557507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.557507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.557507 (E_RNA) where: Base-Base interactions energy: -573.525 where: short stacking energy: -245.900 Base-Backbone interact. energy: 3.460 local terms energy: -268.492648 where: bonds (distance) C4'-P energy: -56.224 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -57.419 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -61.585 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: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -821.542532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.542532 (E_RNA) where: Base-Base interactions energy: -573.991 where: short stacking energy: -236.958 Base-Backbone interact. energy: 0.286 local terms energy: -247.837643 where: bonds (distance) C4'-P energy: -53.047 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -51.259 flat angles P-C4'-P energy: -30.668 tors. eta vs tors. theta energy: -54.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -749.552575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.552575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.552575 (E_RNA) where: Base-Base interactions energy: -520.800 where: short stacking energy: -202.796 Base-Backbone interact. energy: -2.315 local terms energy: -226.437009 where: bonds (distance) C4'-P energy: -40.960 bonds (distance) P-C4' energy: -52.918 flat angles C4'-P-C4' energy: -60.258 flat angles P-C4'-P energy: -23.323 tors. eta vs tors. theta energy: -48.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -639.936767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.936767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.936767 (E_RNA) where: Base-Base interactions energy: -407.020 where: short stacking energy: -192.903 Base-Backbone interact. energy: -1.000 local terms energy: -231.917102 where: bonds (distance) C4'-P energy: -42.255 bonds (distance) P-C4' energy: -58.852 flat angles C4'-P-C4' energy: -56.444 flat angles P-C4'-P energy: -32.018 tors. eta vs tors. theta energy: -42.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -555.745834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.745834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.745834 (E_RNA) where: Base-Base interactions energy: -336.195 where: short stacking energy: -164.937 Base-Backbone interact. energy: 0.036 local terms energy: -219.587442 where: bonds (distance) C4'-P energy: -43.140 bonds (distance) P-C4' energy: -56.706 flat angles C4'-P-C4' energy: -46.191 flat angles P-C4'-P energy: -35.615 tors. eta vs tors. theta energy: -37.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -461.981140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.981140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.981140 (E_RNA) where: Base-Base interactions energy: -291.442 where: short stacking energy: -139.679 Base-Backbone interact. energy: -0.167 local terms energy: -170.371432 where: bonds (distance) C4'-P energy: -51.775 bonds (distance) P-C4' energy: -31.117 flat angles C4'-P-C4' energy: -38.062 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: -21.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -420.307146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.307146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.307146 (E_RNA) where: Base-Base interactions energy: -211.833 where: short stacking energy: -118.518 Base-Backbone interact. energy: -1.180 local terms energy: -207.293777 where: bonds (distance) C4'-P energy: -46.927 bonds (distance) P-C4' energy: -55.844 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -24.575 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1012.502196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.502196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.502196 (E_RNA) where: Base-Base interactions energy: -715.232 where: short stacking energy: -294.808 Base-Backbone interact. energy: -1.880 local terms energy: -295.390166 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -37.427 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: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -931.691275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.691275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.691275 (E_RNA) where: Base-Base interactions energy: -632.617 where: short stacking energy: -291.532 Base-Backbone interact. energy: -0.229 local terms energy: -298.845657 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -61.119 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -25.131 tors. eta vs tors. theta energy: -86.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -905.845735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.845735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.845735 (E_RNA) where: Base-Base interactions energy: -628.990 where: short stacking energy: -269.839 Base-Backbone interact. energy: -1.387 local terms energy: -275.469235 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -53.178 flat angles C4'-P-C4' energy: -59.369 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: -67.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -844.210110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.210110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.210110 (E_RNA) where: Base-Base interactions energy: -574.449 where: short stacking energy: -237.675 Base-Backbone interact. energy: -2.475 local terms energy: -267.286059 where: bonds (distance) C4'-P energy: -55.887 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -59.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -806.273833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.273833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.273833 (E_RNA) where: Base-Base interactions energy: -545.156 where: short stacking energy: -256.256 Base-Backbone interact. energy: -0.338 local terms energy: -260.780116 where: bonds (distance) C4'-P energy: -48.862 bonds (distance) P-C4' energy: -52.195 flat angles C4'-P-C4' energy: -58.457 flat angles P-C4'-P energy: -39.241 tors. eta vs tors. theta energy: -62.025 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: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -713.922783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.922783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.922783 (E_RNA) where: Base-Base interactions energy: -454.655 where: short stacking energy: -220.097 Base-Backbone interact. energy: -3.980 local terms energy: -255.287305 where: bonds (distance) C4'-P energy: -53.338 bonds (distance) P-C4' energy: -43.643 flat angles C4'-P-C4' energy: -60.724 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: -62.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -595.825052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.825052 (E_RNA) where: Base-Base interactions energy: -391.933 where: short stacking energy: -186.958 Base-Backbone interact. energy: 1.537 local terms energy: -205.428853 where: bonds (distance) C4'-P energy: -39.997 bonds (distance) P-C4' energy: -53.212 flat angles C4'-P-C4' energy: -46.249 flat angles P-C4'-P energy: -27.465 tors. eta vs tors. theta energy: -38.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -515.694974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.694974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.694974 (E_RNA) where: Base-Base interactions energy: -310.845 where: short stacking energy: -172.174 Base-Backbone interact. energy: 0.050 local terms energy: -204.900132 where: bonds (distance) C4'-P energy: -42.367 bonds (distance) P-C4' energy: -54.445 flat angles C4'-P-C4' energy: -55.438 flat angles P-C4'-P energy: -31.039 tors. eta vs tors. theta energy: -21.612 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: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -466.458658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.458658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.458658 (E_RNA) where: Base-Base interactions energy: -266.472 where: short stacking energy: -126.670 Base-Backbone interact. energy: 1.461 local terms energy: -201.448132 where: bonds (distance) C4'-P energy: -52.926 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -50.090 flat angles P-C4'-P energy: -21.447 tors. eta vs tors. theta energy: -19.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -377.228064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.228064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.228064 (E_RNA) where: Base-Base interactions energy: -216.983 where: short stacking energy: -80.533 Base-Backbone interact. energy: -1.606 local terms energy: -158.638332 where: bonds (distance) C4'-P energy: -46.109 bonds (distance) P-C4' energy: -51.045 flat angles C4'-P-C4' energy: -45.082 flat angles P-C4'-P energy: -17.916 tors. eta vs tors. theta energy: 1.513 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: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1010.752869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.752869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.752869 (E_RNA) where: Base-Base interactions energy: -707.600 where: short stacking energy: -285.159 Base-Backbone interact. energy: -1.048 local terms energy: -302.104261 where: bonds (distance) C4'-P energy: -54.270 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -64.136 flat angles P-C4'-P energy: -51.924 tors. eta vs tors. theta energy: -75.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -944.491816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.491816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.491816 (E_RNA) where: Base-Base interactions energy: -635.306 where: short stacking energy: -283.042 Base-Backbone interact. energy: -0.504 local terms energy: -308.681641 where: bonds (distance) C4'-P energy: -52.208 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -80.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -919.333223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.333223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.333223 (E_RNA) where: Base-Base interactions energy: -628.412 where: short stacking energy: -263.382 Base-Backbone interact. energy: -1.231 local terms energy: -289.690780 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -63.804 flat angles C4'-P-C4' energy: -60.754 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -73.849 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: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -846.308232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.308232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.308232 (E_RNA) where: Base-Base interactions energy: -587.731 where: short stacking energy: -241.189 Base-Backbone interact. energy: -1.243 local terms energy: -257.333804 where: bonds (distance) C4'-P energy: -47.582 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -55.282 flat angles P-C4'-P energy: -47.019 tors. eta vs tors. theta energy: -49.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -781.527621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.527621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.527621 (E_RNA) where: Base-Base interactions energy: -516.362 where: short stacking energy: -230.526 Base-Backbone interact. energy: -1.122 local terms energy: -264.043204 where: bonds (distance) C4'-P energy: -49.761 bonds (distance) P-C4' energy: -61.879 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -58.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -716.521829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.521829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.521829 (E_RNA) where: Base-Base interactions energy: -474.729 where: short stacking energy: -215.885 Base-Backbone interact. energy: -2.103 local terms energy: -239.689608 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -53.053 flat angles C4'-P-C4' energy: -58.039 flat angles P-C4'-P energy: -31.591 tors. eta vs tors. theta energy: -48.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -635.744075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.744075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.744075 (E_RNA) where: Base-Base interactions energy: -407.557 where: short stacking energy: -212.040 Base-Backbone interact. energy: -0.418 local terms energy: -227.769347 where: bonds (distance) C4'-P energy: -49.106 bonds (distance) P-C4' energy: -48.928 flat angles C4'-P-C4' energy: -64.474 flat angles P-C4'-P energy: -22.517 tors. eta vs tors. theta energy: -42.745 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: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -565.342829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.342829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.342829 (E_RNA) where: Base-Base interactions energy: -357.853 where: short stacking energy: -189.547 Base-Backbone interact. energy: -0.348 local terms energy: -207.141596 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -43.615 flat angles C4'-P-C4' energy: -48.439 flat angles P-C4'-P energy: -33.425 tors. eta vs tors. theta energy: -28.592 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: 5 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -474.064986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.064986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.064986 (E_RNA) where: Base-Base interactions energy: -271.222 where: short stacking energy: -141.858 Base-Backbone interact. energy: -1.307 local terms energy: -201.536001 where: bonds (distance) C4'-P energy: -51.689 bonds (distance) P-C4' energy: -43.511 flat angles C4'-P-C4' energy: -36.755 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -26.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -435.499791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.499791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.499791 (E_RNA) where: Base-Base interactions energy: -266.727 where: short stacking energy: -126.366 Base-Backbone interact. energy: -1.497 local terms energy: -167.276228 where: bonds (distance) C4'-P energy: -36.259 bonds (distance) P-C4' energy: -44.506 flat angles C4'-P-C4' energy: -52.058 flat angles P-C4'-P energy: -13.730 tors. eta vs tors. theta energy: -20.723 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: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1024.551298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.551298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.551298 (E_RNA) where: Base-Base interactions energy: -714.056 where: short stacking energy: -288.676 Base-Backbone interact. energy: -1.893 local terms energy: -308.601776 where: bonds (distance) C4'-P energy: -66.661 bonds (distance) P-C4' energy: -55.601 flat angles C4'-P-C4' energy: -72.300 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -75.219 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: 99 Temperature: 0.950000 Total energy: -947.108292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.108292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.108292 (E_RNA) where: Base-Base interactions energy: -654.399 where: short stacking energy: -270.785 Base-Backbone interact. energy: -3.172 local terms energy: -289.537842 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -51.316 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -71.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -939.588346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.588346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.588346 (E_RNA) where: Base-Base interactions energy: -651.506 where: short stacking energy: -275.291 Base-Backbone interact. energy: 4.513 local terms energy: -292.595487 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -59.220 flat angles P-C4'-P energy: -42.937 tors. eta vs tors. theta energy: -76.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -882.313178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.313178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.313178 (E_RNA) where: Base-Base interactions energy: -609.747 where: short stacking energy: -248.221 Base-Backbone interact. energy: -2.361 local terms energy: -270.205373 where: bonds (distance) C4'-P energy: -54.880 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -31.677 tors. eta vs tors. theta energy: -62.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -800.958665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.958665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.958665 (E_RNA) where: Base-Base interactions energy: -565.789 where: short stacking energy: -238.301 Base-Backbone interact. energy: 0.261 local terms energy: -235.430362 where: bonds (distance) C4'-P energy: -48.601 bonds (distance) P-C4' energy: -41.097 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -26.887 tors. eta vs tors. theta energy: -62.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -678.364535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.364535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.364535 (E_RNA) where: Base-Base interactions energy: -447.456 where: short stacking energy: -202.077 Base-Backbone interact. energy: -1.833 local terms energy: -229.075718 where: bonds (distance) C4'-P energy: -50.608 bonds (distance) P-C4' energy: -44.755 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -35.286 tors. eta vs tors. theta energy: -40.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -645.035051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.035051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.035051 (E_RNA) where: Base-Base interactions energy: -408.685 where: short stacking energy: -193.132 Base-Backbone interact. energy: -1.366 local terms energy: -234.983540 where: bonds (distance) C4'-P energy: -51.457 bonds (distance) P-C4' energy: -49.937 flat angles C4'-P-C4' energy: -50.380 flat angles P-C4'-P energy: -40.123 tors. eta vs tors. theta energy: -43.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -585.386584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.386584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.386584 (E_RNA) where: Base-Base interactions energy: -414.700 where: short stacking energy: -172.428 Base-Backbone interact. energy: -2.278 local terms energy: -168.408067 where: bonds (distance) C4'-P energy: -32.021 bonds (distance) P-C4' energy: -48.798 flat angles C4'-P-C4' energy: -41.486 flat angles P-C4'-P energy: -25.545 tors. eta vs tors. theta energy: -20.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -484.114845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.114845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.114845 (E_RNA) where: Base-Base interactions energy: -256.199 where: short stacking energy: -130.833 Base-Backbone interact. energy: 0.717 local terms energy: -228.632314 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -53.694 flat angles C4'-P-C4' energy: -56.866 flat angles P-C4'-P energy: -43.103 tors. eta vs tors. theta energy: -19.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -467.005203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.005203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.005203 (E_RNA) where: Base-Base interactions energy: -265.679 where: short stacking energy: -138.241 Base-Backbone interact. energy: -1.183 local terms energy: -200.143309 where: bonds (distance) C4'-P energy: -51.108 bonds (distance) P-C4' energy: -42.072 flat angles C4'-P-C4' energy: -56.016 flat angles P-C4'-P energy: -34.983 tors. eta vs tors. theta energy: -15.965 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -984.152517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.152517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.152517 (E_RNA) where: Base-Base interactions energy: -685.875 where: short stacking energy: -283.287 Base-Backbone interact. energy: -0.172 local terms energy: -298.104699 where: bonds (distance) C4'-P energy: -66.030 bonds (distance) P-C4' energy: -57.705 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -70.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1003.211285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.211285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.211285 (E_RNA) where: Base-Base interactions energy: -702.448 where: short stacking energy: -280.330 Base-Backbone interact. energy: -2.477 local terms energy: -298.286264 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -53.442 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: -84.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -926.111176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.111176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.111176 (E_RNA) where: Base-Base interactions energy: -621.561 where: short stacking energy: -268.220 Base-Backbone interact. energy: -1.818 local terms energy: -302.732713 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -60.022 flat angles P-C4'-P energy: -48.399 tors. eta vs tors. theta energy: -77.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -866.316188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.316188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.316188 (E_RNA) where: Base-Base interactions energy: -612.001 where: short stacking energy: -249.042 Base-Backbone interact. energy: -2.450 local terms energy: -251.865050 where: bonds (distance) C4'-P energy: -53.548 bonds (distance) P-C4' energy: -57.038 flat angles C4'-P-C4' energy: -49.200 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: -57.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -838.771453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.771453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.771453 (E_RNA) where: Base-Base interactions energy: -558.754 where: short stacking energy: -225.302 Base-Backbone interact. energy: -2.151 local terms energy: -277.867200 where: bonds (distance) C4'-P energy: -57.608 bonds (distance) P-C4' energy: -59.785 flat angles C4'-P-C4' energy: -61.749 flat angles P-C4'-P energy: -35.474 tors. eta vs tors. theta energy: -63.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -655.475547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.475547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.475547 (E_RNA) where: Base-Base interactions energy: -434.520 where: short stacking energy: -192.278 Base-Backbone interact. energy: 0.284 local terms energy: -221.239377 where: bonds (distance) C4'-P energy: -48.802 bonds (distance) P-C4' energy: -49.150 flat angles C4'-P-C4' energy: -58.328 flat angles P-C4'-P energy: -37.525 tors. eta vs tors. theta energy: -27.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -636.081537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.081537 (E_RNA) where: Base-Base interactions energy: -417.626 where: short stacking energy: -197.978 Base-Backbone interact. energy: -0.544 local terms energy: -217.911450 where: bonds (distance) C4'-P energy: -48.308 bonds (distance) P-C4' energy: -54.120 flat angles C4'-P-C4' energy: -40.687 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -41.292 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: 100 Temperature: 1.250000 Total energy: -624.921045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.921045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.921045 (E_RNA) where: Base-Base interactions energy: -404.285 where: short stacking energy: -186.532 Base-Backbone interact. energy: 1.593 local terms energy: -222.228244 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -51.016 flat angles C4'-P-C4' energy: -41.371 flat angles P-C4'-P energy: -32.622 tors. eta vs tors. theta energy: -42.217 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: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -468.658747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.658747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.658747 (E_RNA) where: Base-Base interactions energy: -271.016 where: short stacking energy: -128.404 Base-Backbone interact. energy: -0.821 local terms energy: -196.822511 where: bonds (distance) C4'-P energy: -50.048 bonds (distance) P-C4' energy: -50.092 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -33.487 tors. eta vs tors. theta energy: -13.835 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: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -433.959641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.959641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.959641 (E_RNA) where: Base-Base interactions energy: -251.708 where: short stacking energy: -106.738 Base-Backbone interact. energy: 2.101 local terms energy: -184.352517 where: bonds (distance) C4'-P energy: -42.953 bonds (distance) P-C4' energy: -55.316 flat angles C4'-P-C4' energy: -40.580 flat angles P-C4'-P energy: -35.063 tors. eta vs tors. theta energy: -10.441 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: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -984.698019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.698019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.698019 (E_RNA) where: Base-Base interactions energy: -695.782 where: short stacking energy: -277.708 Base-Backbone interact. energy: -3.620 local terms energy: -285.296708 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -54.563 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: -75.171 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: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -983.810830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.810830 (E_RNA) where: Base-Base interactions energy: -700.614 where: short stacking energy: -287.888 Base-Backbone interact. energy: -0.883 local terms energy: -282.313782 where: bonds (distance) C4'-P energy: -49.932 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -62.695 flat angles P-C4'-P energy: -34.167 tors. eta vs tors. theta energy: -74.870 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -925.308267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.308267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.308267 (E_RNA) where: Base-Base interactions energy: -635.043 where: short stacking energy: -272.347 Base-Backbone interact. energy: -0.355 local terms energy: -289.910304 where: bonds (distance) C4'-P energy: -61.652 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -60.323 flat angles P-C4'-P energy: -36.605 tors. eta vs tors. theta energy: -74.276 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: 6 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -820.276718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.276718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.276718 (E_RNA) where: Base-Base interactions energy: -545.217 where: short stacking energy: -237.669 Base-Backbone interact. energy: -0.801 local terms energy: -274.258407 where: bonds (distance) C4'-P energy: -57.809 bonds (distance) P-C4' energy: -54.916 flat angles C4'-P-C4' energy: -53.429 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -63.948 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: 101 Temperature: 1.100000 Total energy: -834.254049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.254049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.254049 (E_RNA) where: Base-Base interactions energy: -564.040 where: short stacking energy: -241.000 Base-Backbone interact. energy: 0.318 local terms energy: -270.532110 where: bonds (distance) C4'-P energy: -53.717 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -55.263 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -60.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -802.280104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.280104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.280104 (E_RNA) where: Base-Base interactions energy: -543.725 where: short stacking energy: -241.028 Base-Backbone interact. energy: -0.469 local terms energy: -258.085883 where: bonds (distance) C4'-P energy: -47.867 bonds (distance) P-C4' energy: -53.229 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -30.400 tors. eta vs tors. theta energy: -64.198 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: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -619.133661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.133661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.133661 (E_RNA) where: Base-Base interactions energy: -397.626 where: short stacking energy: -179.385 Base-Backbone interact. energy: 0.823 local terms energy: -222.331171 where: bonds (distance) C4'-P energy: -42.496 bonds (distance) P-C4' energy: -42.760 flat angles C4'-P-C4' energy: -62.270 flat angles P-C4'-P energy: -32.235 tors. eta vs tors. theta energy: -42.570 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: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -642.331319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.331319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.331319 (E_RNA) where: Base-Base interactions energy: -435.359 where: short stacking energy: -188.004 Base-Backbone interact. energy: -0.876 local terms energy: -206.096649 where: bonds (distance) C4'-P energy: -31.151 bonds (distance) P-C4' energy: -49.502 flat angles C4'-P-C4' energy: -51.807 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -39.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -469.461980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.461980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.461980 (E_RNA) where: Base-Base interactions energy: -298.837 where: short stacking energy: -141.434 Base-Backbone interact. energy: -0.994 local terms energy: -169.631585 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -47.595 flat angles C4'-P-C4' energy: -46.211 flat angles P-C4'-P energy: -12.072 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -435.016050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.016050 (E_RNA) where: Base-Base interactions energy: -262.683 where: short stacking energy: -115.691 Base-Backbone interact. energy: 0.432 local terms energy: -172.765839 where: bonds (distance) C4'-P energy: -41.806 bonds (distance) P-C4' energy: -51.417 flat angles C4'-P-C4' energy: -42.882 flat angles P-C4'-P energy: -29.501 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: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -975.036997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.036997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.036997 (E_RNA) where: Base-Base interactions energy: -681.846 where: short stacking energy: -290.229 Base-Backbone interact. energy: -0.274 local terms energy: -292.917785 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -61.300 flat angles P-C4'-P energy: -43.112 tors. eta vs tors. theta energy: -74.400 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: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -979.529635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.529635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.529635 (E_RNA) where: Base-Base interactions energy: -686.965 where: short stacking energy: -272.454 Base-Backbone interact. energy: -1.791 local terms energy: -290.773356 where: bonds (distance) C4'-P energy: -50.585 bonds (distance) P-C4' energy: -49.625 flat angles C4'-P-C4' energy: -72.791 flat angles P-C4'-P energy: -36.838 tors. eta vs tors. theta energy: -80.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -925.229797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.229797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.229797 (E_RNA) where: Base-Base interactions energy: -642.957 where: short stacking energy: -266.452 Base-Backbone interact. energy: 0.299 local terms energy: -282.571721 where: bonds (distance) C4'-P energy: -42.592 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -77.942 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: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -844.436137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.436137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.436137 (E_RNA) where: Base-Base interactions energy: -572.498 where: short stacking energy: -266.873 Base-Backbone interact. energy: -0.728 local terms energy: -271.210217 where: bonds (distance) C4'-P energy: -54.059 bonds (distance) P-C4' energy: -53.710 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -31.783 tors. eta vs tors. theta energy: -71.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -870.327983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.327983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.327983 (E_RNA) where: Base-Base interactions energy: -618.545 where: short stacking energy: -248.512 Base-Backbone interact. energy: -1.565 local terms energy: -250.217654 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -48.492 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -34.435 tors. eta vs tors. theta energy: -58.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -743.769218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.769218 (E_RNA) where: Base-Base interactions energy: -487.823 where: short stacking energy: -209.418 Base-Backbone interact. energy: -0.517 local terms energy: -255.429304 where: bonds (distance) C4'-P energy: -54.052 bonds (distance) P-C4' energy: -50.231 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -48.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -673.609814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.609814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.609814 (E_RNA) where: Base-Base interactions energy: -438.619 where: short stacking energy: -194.292 Base-Backbone interact. energy: -0.437 local terms energy: -234.553257 where: bonds (distance) C4'-P energy: -47.173 bonds (distance) P-C4' energy: -51.439 flat angles C4'-P-C4' energy: -49.618 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -47.017 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: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -610.022720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.022720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.022720 (E_RNA) where: Base-Base interactions energy: -409.183 where: short stacking energy: -198.236 Base-Backbone interact. energy: -1.222 local terms energy: -199.617184 where: bonds (distance) C4'-P energy: -40.501 bonds (distance) P-C4' energy: -48.000 flat angles C4'-P-C4' energy: -45.552 flat angles P-C4'-P energy: -21.543 tors. eta vs tors. theta energy: -44.021 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: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -461.396246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.396246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.396246 (E_RNA) where: Base-Base interactions energy: -286.273 where: short stacking energy: -129.279 Base-Backbone interact. energy: -0.120 local terms energy: -175.003432 where: bonds (distance) C4'-P energy: -39.839 bonds (distance) P-C4' energy: -49.138 flat angles C4'-P-C4' energy: -36.933 flat angles P-C4'-P energy: -17.689 tors. eta vs tors. theta energy: -31.404 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: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -386.028498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.028498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.028498 (E_RNA) where: Base-Base interactions energy: -214.549 where: short stacking energy: -117.188 Base-Backbone interact. energy: -1.003 local terms energy: -170.476381 where: bonds (distance) C4'-P energy: -42.578 bonds (distance) P-C4' energy: -50.656 flat angles C4'-P-C4' energy: -43.833 flat angles P-C4'-P energy: -23.721 tors. eta vs tors. theta energy: -9.689 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -979.517554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.517554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.517554 (E_RNA) where: Base-Base interactions energy: -687.444 where: short stacking energy: -292.560 Base-Backbone interact. energy: -0.575 local terms energy: -291.498253 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -62.307 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: -79.912 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: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -981.304063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.304063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.304063 (E_RNA) where: Base-Base interactions energy: -681.977 where: short stacking energy: -272.558 Base-Backbone interact. energy: -1.861 local terms energy: -297.466281 where: bonds (distance) C4'-P energy: -60.205 bonds (distance) P-C4' energy: -60.291 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -33.079 tors. eta vs tors. theta energy: -77.360 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -924.676555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.676555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.676555 (E_RNA) where: Base-Base interactions energy: -628.179 where: short stacking energy: -276.748 Base-Backbone interact. energy: -0.976 local terms energy: -295.522157 where: bonds (distance) C4'-P energy: -60.655 bonds (distance) P-C4' energy: -68.290 flat angles C4'-P-C4' energy: -56.194 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -881.805468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.805468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.805468 (E_RNA) where: Base-Base interactions energy: -622.263 where: short stacking energy: -259.360 Base-Backbone interact. energy: -1.381 local terms energy: -258.162106 where: bonds (distance) C4'-P energy: -53.865 bonds (distance) P-C4' energy: -46.497 flat angles C4'-P-C4' energy: -56.551 flat angles P-C4'-P energy: -40.646 tors. eta vs tors. theta energy: -60.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -819.438826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.438826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.438826 (E_RNA) where: Base-Base interactions energy: -554.560 where: short stacking energy: -264.435 Base-Backbone interact. energy: 1.826 local terms energy: -266.705236 where: bonds (distance) C4'-P energy: -46.571 bonds (distance) P-C4' energy: -55.614 flat angles C4'-P-C4' energy: -51.776 flat angles P-C4'-P energy: -36.537 tors. eta vs tors. theta energy: -76.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -762.643787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.643787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.643787 (E_RNA) where: Base-Base interactions energy: -499.658 where: short stacking energy: -212.153 Base-Backbone interact. energy: -1.824 local terms energy: -261.161236 where: bonds (distance) C4'-P energy: -44.511 bonds (distance) P-C4' energy: -53.851 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -60.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -655.988355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.988355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.988355 (E_RNA) where: Base-Base interactions energy: -435.970 where: short stacking energy: -193.776 Base-Backbone interact. energy: -1.892 local terms energy: -218.126199 where: bonds (distance) C4'-P energy: -47.671 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -45.815 flat angles P-C4'-P energy: -23.622 tors. eta vs tors. theta energy: -42.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -613.175808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.175808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.175808 (E_RNA) where: Base-Base interactions energy: -376.120 where: short stacking energy: -171.625 Base-Backbone interact. energy: -0.925 local terms energy: -236.130643 where: bonds (distance) C4'-P energy: -56.225 bonds (distance) P-C4' energy: -54.142 flat angles C4'-P-C4' energy: -53.111 flat angles P-C4'-P energy: -31.918 tors. eta vs tors. theta energy: -40.734 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: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -429.839559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.839559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.839559 (E_RNA) where: Base-Base interactions energy: -237.736 where: short stacking energy: -113.589 Base-Backbone interact. energy: 3.702 local terms energy: -195.805665 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -50.504 flat angles C4'-P-C4' energy: -50.223 flat angles P-C4'-P energy: -24.721 tors. eta vs tors. theta energy: -14.723 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: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -379.757461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.757461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.757461 (E_RNA) where: Base-Base interactions energy: -204.540 where: short stacking energy: -101.551 Base-Backbone interact. energy: -1.461 local terms energy: -173.756646 where: bonds (distance) C4'-P energy: -35.248 bonds (distance) P-C4' energy: -56.574 flat angles C4'-P-C4' energy: -38.162 flat angles P-C4'-P energy: -30.720 tors. eta vs tors. theta energy: -13.053 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: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -950.440909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.440909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.440909 (E_RNA) where: Base-Base interactions energy: -677.613 where: short stacking energy: -290.330 Base-Backbone interact. energy: 0.970 local terms energy: -273.797703 where: bonds (distance) C4'-P energy: -35.735 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -76.731 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: 2, replica: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -964.575465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.575465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.575465 (E_RNA) where: Base-Base interactions energy: -671.964 where: short stacking energy: -291.552 Base-Backbone interact. energy: -0.757 local terms energy: -291.854551 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -60.228 flat angles C4'-P-C4' energy: -62.123 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -73.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -912.620953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.620953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.620953 (E_RNA) where: Base-Base interactions energy: -623.338 where: short stacking energy: -294.090 Base-Backbone interact. energy: -0.500 local terms energy: -288.783538 where: bonds (distance) C4'-P energy: -51.770 bonds (distance) P-C4' energy: -55.353 flat angles C4'-P-C4' energy: -54.231 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -82.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -856.471527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.471527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.471527 (E_RNA) where: Base-Base interactions energy: -600.743 where: short stacking energy: -244.602 Base-Backbone interact. energy: 1.262 local terms energy: -256.990479 where: bonds (distance) C4'-P energy: -56.637 bonds (distance) P-C4' energy: -49.601 flat angles C4'-P-C4' energy: -51.212 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -56.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -835.403831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.403831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.403831 (E_RNA) where: Base-Base interactions energy: -556.183 where: short stacking energy: -233.482 Base-Backbone interact. energy: -0.960 local terms energy: -278.260874 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -51.431 flat angles C4'-P-C4' energy: -60.451 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -69.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -787.483476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.483476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.483476 (E_RNA) where: Base-Base interactions energy: -526.570 where: short stacking energy: -230.283 Base-Backbone interact. energy: -0.627 local terms energy: -260.286882 where: bonds (distance) C4'-P energy: -58.555 bonds (distance) P-C4' energy: -46.082 flat angles C4'-P-C4' energy: -52.117 flat angles P-C4'-P energy: -33.168 tors. eta vs tors. theta energy: -70.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -638.012808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.012808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.012808 (E_RNA) where: Base-Base interactions energy: -402.962 where: short stacking energy: -171.410 Base-Backbone interact. energy: -0.908 local terms energy: -234.142343 where: bonds (distance) C4'-P energy: -47.250 bonds (distance) P-C4' energy: -39.839 flat angles C4'-P-C4' energy: -62.362 flat angles P-C4'-P energy: -36.355 tors. eta vs tors. theta energy: -48.337 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: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -596.485804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.485804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.485804 (E_RNA) where: Base-Base interactions energy: -383.123 where: short stacking energy: -182.449 Base-Backbone interact. energy: -0.688 local terms energy: -212.674868 where: bonds (distance) C4'-P energy: -40.193 bonds (distance) P-C4' energy: -51.245 flat angles C4'-P-C4' energy: -48.373 flat angles P-C4'-P energy: -30.233 tors. eta vs tors. theta energy: -42.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -473.526726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.526726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.526726 (E_RNA) where: Base-Base interactions energy: -277.381 where: short stacking energy: -128.114 Base-Backbone interact. energy: -0.999 local terms energy: -195.147209 where: bonds (distance) C4'-P energy: -38.931 bonds (distance) P-C4' energy: -48.962 flat angles C4'-P-C4' energy: -52.678 flat angles P-C4'-P energy: -33.905 tors. eta vs tors. theta energy: -20.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -414.796420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.796420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.796420 (E_RNA) where: Base-Base interactions energy: -244.263 where: short stacking energy: -121.551 Base-Backbone interact. energy: 1.679 local terms energy: -172.212150 where: bonds (distance) C4'-P energy: -46.040 bonds (distance) P-C4' energy: -56.808 flat angles C4'-P-C4' energy: -40.266 flat angles P-C4'-P energy: -18.576 tors. eta vs tors. theta energy: -10.523 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -949.923128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.923128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.923128 (E_RNA) where: Base-Base interactions energy: -659.176 where: short stacking energy: -286.499 Base-Backbone interact. energy: -2.330 local terms energy: -288.417229 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -60.025 flat angles P-C4'-P energy: -38.680 tors. eta vs tors. theta energy: -65.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -975.866577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.866577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.866577 (E_RNA) where: Base-Base interactions energy: -680.520 where: short stacking energy: -291.504 Base-Backbone interact. energy: 0.409 local terms energy: -295.756038 where: bonds (distance) C4'-P energy: -63.310 bonds (distance) P-C4' energy: -50.030 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -77.910 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: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -923.961816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.961816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.961816 (E_RNA) where: Base-Base interactions energy: -640.369 where: short stacking energy: -266.876 Base-Backbone interact. energy: 0.229 local terms energy: -283.821307 where: bonds (distance) C4'-P energy: -46.514 bonds (distance) P-C4' energy: -60.874 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -49.846 tors. eta vs tors. theta energy: -68.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -874.669873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.669873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.669873 (E_RNA) where: Base-Base interactions energy: -613.698 where: short stacking energy: -272.256 Base-Backbone interact. energy: -1.588 local terms energy: -259.384033 where: bonds (distance) C4'-P energy: -45.179 bonds (distance) P-C4' energy: -42.957 flat angles C4'-P-C4' energy: -58.897 flat angles P-C4'-P energy: -38.409 tors. eta vs tors. theta energy: -73.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -852.970662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.970662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.970662 (E_RNA) where: Base-Base interactions energy: -589.986 where: short stacking energy: -247.931 Base-Backbone interact. energy: -1.194 local terms energy: -261.790478 where: bonds (distance) C4'-P energy: -48.401 bonds (distance) P-C4' energy: -55.155 flat angles C4'-P-C4' energy: -54.889 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: -65.340 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: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -785.401640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.401640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.401640 (E_RNA) where: Base-Base interactions energy: -538.638 where: short stacking energy: -239.762 Base-Backbone interact. energy: -1.052 local terms energy: -245.711038 where: bonds (distance) C4'-P energy: -41.065 bonds (distance) P-C4' energy: -47.324 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -33.775 tors. eta vs tors. theta energy: -61.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -615.129014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.129014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.129014 (E_RNA) where: Base-Base interactions energy: -397.695 where: short stacking energy: -180.323 Base-Backbone interact. energy: -0.556 local terms energy: -216.878169 where: bonds (distance) C4'-P energy: -45.850 bonds (distance) P-C4' energy: -60.582 flat angles C4'-P-C4' energy: -53.289 flat angles P-C4'-P energy: -26.388 tors. eta vs tors. theta energy: -30.770 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: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -568.874241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.874241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.874241 (E_RNA) where: Base-Base interactions energy: -367.255 where: short stacking energy: -166.829 Base-Backbone interact. energy: -1.240 local terms energy: -200.379393 where: bonds (distance) C4'-P energy: -48.010 bonds (distance) P-C4' energy: -59.131 flat angles C4'-P-C4' energy: -44.821 flat angles P-C4'-P energy: -22.459 tors. eta vs tors. theta energy: -25.958 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: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -446.498021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.498021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.498021 (E_RNA) where: Base-Base interactions energy: -258.719 where: short stacking energy: -130.190 Base-Backbone interact. energy: -1.200 local terms energy: -186.579558 where: bonds (distance) C4'-P energy: -45.142 bonds (distance) P-C4' energy: -54.098 flat angles C4'-P-C4' energy: -38.659 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -13.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -416.973653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.973653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.973653 (E_RNA) where: Base-Base interactions energy: -252.926 where: short stacking energy: -128.260 Base-Backbone interact. energy: -1.098 local terms energy: -162.949517 where: bonds (distance) C4'-P energy: -28.486 bonds (distance) P-C4' energy: -50.174 flat angles C4'-P-C4' energy: -46.956 flat angles P-C4'-P energy: -25.897 tors. eta vs tors. theta energy: -11.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1013.933165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.933165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.933165 (E_RNA) where: Base-Base interactions energy: -710.274 where: short stacking energy: -284.658 Base-Backbone interact. energy: -2.765 local terms energy: -300.894127 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: -81.491 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: 106 Temperature: 0.950000 Total energy: -945.906216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.906216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.906216 (E_RNA) where: Base-Base interactions energy: -646.289 where: short stacking energy: -270.762 Base-Backbone interact. energy: 0.851 local terms energy: -300.467926 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -66.636 flat angles P-C4'-P energy: -47.528 tors. eta vs tors. theta energy: -72.932 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: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -930.158961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.158961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.158961 (E_RNA) where: Base-Base interactions energy: -640.783 where: short stacking energy: -299.245 Base-Backbone interact. energy: -1.018 local terms energy: -288.357971 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -52.612 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -81.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -853.116200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.116200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.116200 (E_RNA) where: Base-Base interactions energy: -573.927 where: short stacking energy: -266.756 Base-Backbone interact. energy: 1.718 local terms energy: -280.907178 where: bonds (distance) C4'-P energy: -52.176 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -40.966 tors. eta vs tors. theta energy: -69.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -815.500896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.500896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.500896 (E_RNA) where: Base-Base interactions energy: -589.149 where: short stacking energy: -232.132 Base-Backbone interact. energy: -2.232 local terms energy: -224.119565 where: bonds (distance) C4'-P energy: -44.092 bonds (distance) P-C4' energy: -42.475 flat angles C4'-P-C4' energy: -64.824 flat angles P-C4'-P energy: -25.490 tors. eta vs tors. theta energy: -47.239 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -783.042797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.042797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.042797 (E_RNA) where: Base-Base interactions energy: -518.924 where: short stacking energy: -236.333 Base-Backbone interact. energy: -0.760 local terms energy: -263.358250 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -50.107 flat angles C4'-P-C4' energy: -57.293 flat angles P-C4'-P energy: -37.295 tors. eta vs tors. theta energy: -67.454 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: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -612.955542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.955542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.955542 (E_RNA) where: Base-Base interactions energy: -392.502 where: short stacking energy: -170.988 Base-Backbone interact. energy: -1.041 local terms energy: -219.411880 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -48.109 flat angles C4'-P-C4' energy: -62.623 flat angles P-C4'-P energy: -24.612 tors. eta vs tors. theta energy: -31.824 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: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -562.919607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.919607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.919607 (E_RNA) where: Base-Base interactions energy: -360.628 where: short stacking energy: -178.226 Base-Backbone interact. energy: -0.117 local terms energy: -202.173869 where: bonds (distance) C4'-P energy: -46.052 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -40.810 flat angles P-C4'-P energy: -34.576 tors. eta vs tors. theta energy: -26.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -455.961001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.961001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.961001 (E_RNA) where: Base-Base interactions energy: -260.724 where: short stacking energy: -137.168 Base-Backbone interact. energy: -0.288 local terms energy: -194.948534 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -42.556 flat angles C4'-P-C4' energy: -52.894 flat angles P-C4'-P energy: -23.241 tors. eta vs tors. theta energy: -24.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -387.020821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.020821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.020821 (E_RNA) where: Base-Base interactions energy: -232.624 where: short stacking energy: -110.173 Base-Backbone interact. energy: -1.064 local terms energy: -153.333656 where: bonds (distance) C4'-P energy: -45.543 bonds (distance) P-C4' energy: -47.826 flat angles C4'-P-C4' energy: -36.502 flat angles P-C4'-P energy: -23.133 tors. eta vs tors. theta energy: -0.329 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: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -996.502486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.502486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.502486 (E_RNA) where: Base-Base interactions energy: -706.738 where: short stacking energy: -284.107 Base-Backbone interact. energy: -0.705 local terms energy: -289.059968 where: bonds (distance) C4'-P energy: -58.762 bonds (distance) P-C4' energy: -55.566 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -32.199 tors. eta vs tors. theta energy: -80.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -988.120548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.120548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.120548 (E_RNA) where: Base-Base interactions energy: -677.086 where: short stacking energy: -308.548 Base-Backbone interact. energy: -1.188 local terms energy: -309.847316 where: bonds (distance) C4'-P energy: -53.417 bonds (distance) P-C4' energy: -56.414 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -90.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -902.986545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.986545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.986545 (E_RNA) where: Base-Base interactions energy: -612.107 where: short stacking energy: -272.474 Base-Backbone interact. energy: 0.954 local terms energy: -291.834242 where: bonds (distance) C4'-P energy: -50.657 bonds (distance) P-C4' energy: -63.232 flat angles C4'-P-C4' energy: -59.351 flat angles P-C4'-P energy: -43.698 tors. eta vs tors. theta energy: -74.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -850.314541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.314541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.314541 (E_RNA) where: Base-Base interactions energy: -588.305 where: short stacking energy: -243.657 Base-Backbone interact. energy: -1.127 local terms energy: -260.882101 where: bonds (distance) C4'-P energy: -48.165 bonds (distance) P-C4' energy: -49.608 flat angles C4'-P-C4' energy: -55.102 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -64.883 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: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -809.920196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.920196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.920196 (E_RNA) where: Base-Base interactions energy: -580.334 where: short stacking energy: -241.035 Base-Backbone interact. energy: -0.654 local terms energy: -228.931817 where: bonds (distance) C4'-P energy: -35.972 bonds (distance) P-C4' energy: -42.499 flat angles C4'-P-C4' energy: -51.534 flat angles P-C4'-P energy: -41.994 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: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -758.681447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.681447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.681447 (E_RNA) where: Base-Base interactions energy: -510.961 where: short stacking energy: -218.818 Base-Backbone interact. energy: 0.965 local terms energy: -248.685298 where: bonds (distance) C4'-P energy: -46.159 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -52.291 flat angles P-C4'-P energy: -33.315 tors. eta vs tors. theta energy: -57.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -631.983315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.983315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.983315 (E_RNA) where: Base-Base interactions energy: -400.954 where: short stacking energy: -182.243 Base-Backbone interact. energy: 2.353 local terms energy: -233.381757 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -51.312 flat angles C4'-P-C4' energy: -53.454 flat angles P-C4'-P energy: -27.453 tors. eta vs tors. theta energy: -45.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -578.834496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.834496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.834496 (E_RNA) where: Base-Base interactions energy: -341.521 where: short stacking energy: -164.012 Base-Backbone interact. energy: 1.192 local terms energy: -238.505807 where: bonds (distance) C4'-P energy: -51.007 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -35.261 tors. eta vs tors. theta energy: -36.092 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: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -457.610735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.610735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.610735 (E_RNA) where: Base-Base interactions energy: -264.992 where: short stacking energy: -145.025 Base-Backbone interact. energy: -1.642 local terms energy: -190.977010 where: bonds (distance) C4'-P energy: -39.770 bonds (distance) P-C4' energy: -53.723 flat angles C4'-P-C4' energy: -36.403 flat angles P-C4'-P energy: -35.523 tors. eta vs tors. theta energy: -25.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -390.377536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.377536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.377536 (E_RNA) where: Base-Base interactions energy: -219.463 where: short stacking energy: -103.171 Base-Backbone interact. energy: -1.668 local terms energy: -169.246888 where: bonds (distance) C4'-P energy: -45.923 bonds (distance) P-C4' energy: -54.135 flat angles C4'-P-C4' energy: -37.235 flat angles P-C4'-P energy: -27.605 tors. eta vs tors. theta energy: -4.350 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: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1014.846197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.846197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.846197 (E_RNA) where: Base-Base interactions energy: -702.005 where: short stacking energy: -284.539 Base-Backbone interact. energy: -1.321 local terms energy: -311.519906 where: bonds (distance) C4'-P energy: -50.823 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -65.525 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: -85.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -987.679888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.679888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.679888 (E_RNA) where: Base-Base interactions energy: -667.643 where: short stacking energy: -312.492 Base-Backbone interact. energy: -0.334 local terms energy: -319.702689 where: bonds (distance) C4'-P energy: -51.588 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -92.623 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: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -900.214827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.214827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.214827 (E_RNA) where: Base-Base interactions energy: -603.577 where: short stacking energy: -259.218 Base-Backbone interact. energy: 0.149 local terms energy: -296.787196 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -57.784 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -67.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -843.452749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.452749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.452749 (E_RNA) where: Base-Base interactions energy: -570.410 where: short stacking energy: -253.386 Base-Backbone interact. energy: -2.606 local terms energy: -270.436708 where: bonds (distance) C4'-P energy: -47.045 bonds (distance) P-C4' energy: -46.325 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -75.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -829.592151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.592151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.592151 (E_RNA) where: Base-Base interactions energy: -574.742 where: short stacking energy: -248.428 Base-Backbone interact. energy: 0.183 local terms energy: -255.032870 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -59.130 flat angles C4'-P-C4' energy: -54.192 flat angles P-C4'-P energy: -30.031 tors. eta vs tors. theta energy: -59.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -775.265643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.265643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.265643 (E_RNA) where: Base-Base interactions energy: -523.054 where: short stacking energy: -213.591 Base-Backbone interact. energy: -1.227 local terms energy: -250.984447 where: bonds (distance) C4'-P energy: -57.684 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -59.436 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: -46.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -610.098044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.098044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.098044 (E_RNA) where: Base-Base interactions energy: -374.725 where: short stacking energy: -191.373 Base-Backbone interact. energy: -0.907 local terms energy: -234.466037 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -50.664 flat angles C4'-P-C4' energy: -49.892 flat angles P-C4'-P energy: -38.429 tors. eta vs tors. theta energy: -39.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -573.381290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.381290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.381290 (E_RNA) where: Base-Base interactions energy: -368.712 where: short stacking energy: -146.356 Base-Backbone interact. energy: -0.532 local terms energy: -204.137235 where: bonds (distance) C4'-P energy: -44.224 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -48.504 flat angles P-C4'-P energy: -30.873 tors. eta vs tors. theta energy: -27.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -452.689662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.689662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.689662 (E_RNA) where: Base-Base interactions energy: -267.554 where: short stacking energy: -128.354 Base-Backbone interact. energy: 1.638 local terms energy: -186.773305 where: bonds (distance) C4'-P energy: -35.908 bonds (distance) P-C4' energy: -55.459 flat angles C4'-P-C4' energy: -39.222 flat angles P-C4'-P energy: -31.966 tors. eta vs tors. theta energy: -24.218 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: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -396.482592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.482592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.482592 (E_RNA) where: Base-Base interactions energy: -216.561 where: short stacking energy: -128.151 Base-Backbone interact. energy: -0.727 local terms energy: -179.194624 where: bonds (distance) C4'-P energy: -36.158 bonds (distance) P-C4' energy: -48.794 flat angles C4'-P-C4' energy: -44.462 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: -18.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -982.795704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.795704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.795704 (E_RNA) where: Base-Base interactions energy: -690.050 where: short stacking energy: -277.460 Base-Backbone interact. energy: -2.631 local terms energy: -290.115082 where: bonds (distance) C4'-P energy: -52.984 bonds (distance) P-C4' energy: -57.578 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -39.430 tors. eta vs tors. theta energy: -74.621 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -969.429196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.429196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.429196 (E_RNA) where: Base-Base interactions energy: -658.179 where: short stacking energy: -293.847 Base-Backbone interact. energy: -1.071 local terms energy: -310.179470 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -58.818 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: -83.081 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: 109 Temperature: 1.000000 Total energy: -904.020543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.020543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.020543 (E_RNA) where: Base-Base interactions energy: -621.330 where: short stacking energy: -264.648 Base-Backbone interact. energy: -0.871 local terms energy: -281.819640 where: bonds (distance) C4'-P energy: -49.308 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -64.412 flat angles P-C4'-P energy: -41.374 tors. eta vs tors. theta energy: -68.174 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: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -827.932390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.932390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.932390 (E_RNA) where: Base-Base interactions energy: -566.535 where: short stacking energy: -250.092 Base-Backbone interact. energy: 0.055 local terms energy: -261.452670 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -52.613 flat angles C4'-P-C4' energy: -49.673 flat angles P-C4'-P energy: -30.980 tors. eta vs tors. theta energy: -66.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -840.953022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.953022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.953022 (E_RNA) where: Base-Base interactions energy: -574.468 where: short stacking energy: -270.319 Base-Backbone interact. energy: 0.003 local terms energy: -266.487460 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -54.652 flat angles C4'-P-C4' energy: -62.104 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -61.652 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: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -762.144040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.144040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.144040 (E_RNA) where: Base-Base interactions energy: -519.514 where: short stacking energy: -214.788 Base-Backbone interact. energy: -0.680 local terms energy: -241.950118 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -44.038 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -33.337 tors. eta vs tors. theta energy: -54.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -648.944059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.944059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.944059 (E_RNA) where: Base-Base interactions energy: -421.428 where: short stacking energy: -200.722 Base-Backbone interact. energy: -1.208 local terms energy: -226.308323 where: bonds (distance) C4'-P energy: -48.769 bonds (distance) P-C4' energy: -40.879 flat angles C4'-P-C4' energy: -51.074 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -46.362 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: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -586.745857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.745857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.745857 (E_RNA) where: Base-Base interactions energy: -374.941 where: short stacking energy: -175.799 Base-Backbone interact. energy: -1.633 local terms energy: -210.172219 where: bonds (distance) C4'-P energy: -43.994 bonds (distance) P-C4' energy: -43.966 flat angles C4'-P-C4' energy: -56.121 flat angles P-C4'-P energy: -34.195 tors. eta vs tors. theta energy: -31.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -464.200674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.200674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.200674 (E_RNA) where: Base-Base interactions energy: -282.210 where: short stacking energy: -132.325 Base-Backbone interact. energy: 0.980 local terms energy: -182.970177 where: bonds (distance) C4'-P energy: -34.110 bonds (distance) P-C4' energy: -49.890 flat angles C4'-P-C4' energy: -40.900 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: -21.656 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: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -452.856764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.856764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.856764 (E_RNA) where: Base-Base interactions energy: -266.788 where: short stacking energy: -154.929 Base-Backbone interact. energy: -0.793 local terms energy: -185.276125 where: bonds (distance) C4'-P energy: -39.643 bonds (distance) P-C4' energy: -50.894 flat angles C4'-P-C4' energy: -52.585 flat angles P-C4'-P energy: -20.451 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -988.835500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.835500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.835500 (E_RNA) where: Base-Base interactions energy: -685.898 where: short stacking energy: -297.331 Base-Backbone interact. energy: -0.460 local terms energy: -302.477497 where: bonds (distance) C4'-P energy: -56.434 bonds (distance) P-C4' energy: -55.176 flat angles C4'-P-C4' energy: -63.327 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -81.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -961.183067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.183067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.183067 (E_RNA) where: Base-Base interactions energy: -660.821 where: short stacking energy: -302.353 Base-Backbone interact. energy: -1.009 local terms energy: -299.353870 where: bonds (distance) C4'-P energy: -53.131 bonds (distance) P-C4' energy: -60.340 flat angles C4'-P-C4' energy: -65.560 flat angles P-C4'-P energy: -37.218 tors. eta vs tors. theta energy: -83.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -891.835238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.835238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.835238 (E_RNA) where: Base-Base interactions energy: -609.761 where: short stacking energy: -266.737 Base-Backbone interact. energy: -0.415 local terms energy: -281.658338 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -47.040 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -64.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -834.449583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.449583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.449583 (E_RNA) where: Base-Base interactions energy: -555.284 where: short stacking energy: -251.628 Base-Backbone interact. energy: 0.770 local terms energy: -279.935558 where: bonds (distance) C4'-P energy: -53.614 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -56.188 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: -68.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -842.138495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.138495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.138495 (E_RNA) where: Base-Base interactions energy: -584.457 where: short stacking energy: -245.779 Base-Backbone interact. energy: 1.715 local terms energy: -259.396588 where: bonds (distance) C4'-P energy: -52.786 bonds (distance) P-C4' energy: -48.921 flat angles C4'-P-C4' energy: -61.243 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -56.322 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -759.659115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.659115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.659115 (E_RNA) where: Base-Base interactions energy: -533.733 where: short stacking energy: -216.075 Base-Backbone interact. energy: -0.484 local terms energy: -225.441608 where: bonds (distance) C4'-P energy: -51.843 bonds (distance) P-C4' energy: -34.999 flat angles C4'-P-C4' energy: -46.188 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -53.722 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: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -626.341067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.341067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.341067 (E_RNA) where: Base-Base interactions energy: -417.243 where: short stacking energy: -163.823 Base-Backbone interact. energy: -0.539 local terms energy: -208.558934 where: bonds (distance) C4'-P energy: -45.813 bonds (distance) P-C4' energy: -56.173 flat angles C4'-P-C4' energy: -47.103 flat angles P-C4'-P energy: -32.569 tors. eta vs tors. theta energy: -26.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -653.388005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.388005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.388005 (E_RNA) where: Base-Base interactions energy: -424.326 where: short stacking energy: -200.070 Base-Backbone interact. energy: -0.571 local terms energy: -228.491065 where: bonds (distance) C4'-P energy: -51.249 bonds (distance) P-C4' energy: -60.147 flat angles C4'-P-C4' energy: -46.140 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: -46.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -482.145634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.145634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.145634 (E_RNA) where: Base-Base interactions energy: -292.010 where: short stacking energy: -143.958 Base-Backbone interact. energy: -0.643 local terms energy: -189.492440 where: bonds (distance) C4'-P energy: -45.099 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -48.996 flat angles P-C4'-P energy: -20.039 tors. eta vs tors. theta energy: -18.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -389.754206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.754206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.754206 (E_RNA) where: Base-Base interactions energy: -223.803 where: short stacking energy: -115.411 Base-Backbone interact. energy: 7.793 local terms energy: -173.744420 where: bonds (distance) C4'-P energy: -32.992 bonds (distance) P-C4' energy: -57.928 flat angles C4'-P-C4' energy: -44.467 flat angles P-C4'-P energy: -17.370 tors. eta vs tors. theta energy: -20.988 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: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -996.562010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.562010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.562010 (E_RNA) where: Base-Base interactions energy: -702.950 where: short stacking energy: -293.157 Base-Backbone interact. energy: -2.354 local terms energy: -291.258521 where: bonds (distance) C4'-P energy: -57.736 bonds (distance) P-C4' energy: -57.734 flat angles C4'-P-C4' energy: -55.872 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -78.887 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: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -947.729596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.729596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.729596 (E_RNA) where: Base-Base interactions energy: -654.344 where: short stacking energy: -296.031 Base-Backbone interact. energy: 2.353 local terms energy: -295.738018 where: bonds (distance) C4'-P energy: -54.703 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -39.483 tors. eta vs tors. theta energy: -84.589 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: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -902.164933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.164933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.164933 (E_RNA) where: Base-Base interactions energy: -605.239 where: short stacking energy: -267.206 Base-Backbone interact. energy: 0.398 local terms energy: -297.323823 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -64.781 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -70.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -879.306412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.306412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.306412 (E_RNA) where: Base-Base interactions energy: -600.045 where: short stacking energy: -240.084 Base-Backbone interact. energy: -0.626 local terms energy: -278.635478 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -55.112 flat angles C4'-P-C4' energy: -52.786 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -64.498 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -828.021675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.021675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.021675 (E_RNA) where: Base-Base interactions energy: -554.399 where: short stacking energy: -238.760 Base-Backbone interact. energy: -1.500 local terms energy: -272.122917 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -55.463 flat angles C4'-P-C4' energy: -55.017 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -67.243 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: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -745.337582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.337582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.337582 (E_RNA) where: Base-Base interactions energy: -506.256 where: short stacking energy: -204.367 Base-Backbone interact. energy: -0.767 local terms energy: -238.313980 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -42.718 flat angles C4'-P-C4' energy: -49.337 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -47.735 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: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -608.164310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.164310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.164310 (E_RNA) where: Base-Base interactions energy: -398.386 where: short stacking energy: -169.335 Base-Backbone interact. energy: -2.348 local terms energy: -207.431196 where: bonds (distance) C4'-P energy: -43.275 bonds (distance) P-C4' energy: -52.287 flat angles C4'-P-C4' energy: -54.144 flat angles P-C4'-P energy: -30.227 tors. eta vs tors. theta energy: -27.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -611.170562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.170562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.170562 (E_RNA) where: Base-Base interactions energy: -408.961 where: short stacking energy: -186.259 Base-Backbone interact. energy: -0.383 local terms energy: -201.826939 where: bonds (distance) C4'-P energy: -47.084 bonds (distance) P-C4' energy: -50.661 flat angles C4'-P-C4' energy: -51.559 flat angles P-C4'-P energy: -25.484 tors. eta vs tors. theta energy: -27.039 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: 5 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -490.882772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.882772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.882772 (E_RNA) where: Base-Base interactions energy: -293.230 where: short stacking energy: -146.456 Base-Backbone interact. energy: -0.796 local terms energy: -196.856859 where: bonds (distance) C4'-P energy: -48.902 bonds (distance) P-C4' energy: -55.758 flat angles C4'-P-C4' energy: -45.200 flat angles P-C4'-P energy: -29.242 tors. eta vs tors. theta energy: -17.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -415.514782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.514782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.514782 (E_RNA) where: Base-Base interactions energy: -234.325 where: short stacking energy: -125.466 Base-Backbone interact. energy: -2.100 local terms energy: -179.089641 where: bonds (distance) C4'-P energy: -28.319 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -50.273 flat angles P-C4'-P energy: -27.153 tors. eta vs tors. theta energy: -16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -975.021495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.021495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.021495 (E_RNA) where: Base-Base interactions energy: -657.292 where: short stacking energy: -300.020 Base-Backbone interact. energy: -0.818 local terms energy: -316.911438 where: bonds (distance) C4'-P energy: -60.910 bonds (distance) P-C4' energy: -62.849 flat angles C4'-P-C4' energy: -58.959 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: -85.513 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: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -974.222538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.222538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.222538 (E_RNA) where: Base-Base interactions energy: -690.967 where: short stacking energy: -285.511 Base-Backbone interact. energy: -1.358 local terms energy: -281.897387 where: bonds (distance) C4'-P energy: -50.786 bonds (distance) P-C4' energy: -61.235 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -71.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -886.463336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.463336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.463336 (E_RNA) where: Base-Base interactions energy: -607.860 where: short stacking energy: -269.286 Base-Backbone interact. energy: 2.593 local terms energy: -281.196008 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -57.373 flat angles C4'-P-C4' energy: -62.175 flat angles P-C4'-P energy: -40.034 tors. eta vs tors. theta energy: -68.866 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: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -878.686830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.686830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.686830 (E_RNA) where: Base-Base interactions energy: -612.037 where: short stacking energy: -238.746 Base-Backbone interact. energy: -1.002 local terms energy: -265.648553 where: bonds (distance) C4'-P energy: -54.661 bonds (distance) P-C4' energy: -50.384 flat angles C4'-P-C4' energy: -53.320 flat angles P-C4'-P energy: -37.438 tors. eta vs tors. theta energy: -69.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -789.228639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.228639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.228639 (E_RNA) where: Base-Base interactions energy: -533.783 where: short stacking energy: -217.328 Base-Backbone interact. energy: 1.137 local terms energy: -256.582273 where: bonds (distance) C4'-P energy: -56.292 bonds (distance) P-C4' energy: -53.439 flat angles C4'-P-C4' energy: -57.646 flat angles P-C4'-P energy: -42.084 tors. eta vs tors. theta energy: -47.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -817.705148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.705148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.705148 (E_RNA) where: Base-Base interactions energy: -557.315 where: short stacking energy: -231.083 Base-Backbone interact. energy: -1.160 local terms energy: -259.230605 where: bonds (distance) C4'-P energy: -47.805 bonds (distance) P-C4' energy: -51.091 flat angles C4'-P-C4' energy: -58.093 flat angles P-C4'-P energy: -34.989 tors. eta vs tors. theta energy: -67.252 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -688.862145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.862145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.862145 (E_RNA) where: Base-Base interactions energy: -470.834 where: short stacking energy: -206.651 Base-Backbone interact. energy: -0.784 local terms energy: -217.244761 where: bonds (distance) C4'-P energy: -40.999 bonds (distance) P-C4' energy: -48.215 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -26.197 tors. eta vs tors. theta energy: -43.802 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: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -593.993409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.993409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.993409 (E_RNA) where: Base-Base interactions energy: -396.535 where: short stacking energy: -158.306 Base-Backbone interact. energy: -2.149 local terms energy: -195.309594 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -47.169 flat angles C4'-P-C4' energy: -42.668 flat angles P-C4'-P energy: -20.847 tors. eta vs tors. theta energy: -32.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -497.791054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.791054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.791054 (E_RNA) where: Base-Base interactions energy: -309.790 where: short stacking energy: -135.686 Base-Backbone interact. energy: -1.514 local terms energy: -186.487619 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -38.296 flat angles C4'-P-C4' energy: -42.154 flat angles P-C4'-P energy: -33.361 tors. eta vs tors. theta energy: -20.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -328.315326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.315326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.315326 (E_RNA) where: Base-Base interactions energy: -161.796 where: short stacking energy: -80.194 Base-Backbone interact. energy: -1.148 local terms energy: -165.371356 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -53.580 flat angles C4'-P-C4' energy: -35.241 flat angles P-C4'-P energy: -20.750 tors. eta vs tors. theta energy: 4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -968.446246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.446246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.446246 (E_RNA) where: Base-Base interactions energy: -654.632 where: short stacking energy: -286.542 Base-Backbone interact. energy: 0.012 local terms energy: -313.825662 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -57.188 flat angles C4'-P-C4' energy: -67.946 flat angles P-C4'-P energy: -48.566 tors. eta vs tors. theta energy: -83.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -982.445074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.445074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.445074 (E_RNA) where: Base-Base interactions energy: -685.460 where: short stacking energy: -276.520 Base-Backbone interact. energy: -0.171 local terms energy: -296.813893 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -54.125 flat angles C4'-P-C4' energy: -69.431 flat angles P-C4'-P energy: -39.315 tors. eta vs tors. theta energy: -75.949 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: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -899.864655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.864655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.864655 (E_RNA) where: Base-Base interactions energy: -613.111 where: short stacking energy: -261.647 Base-Backbone interact. energy: 0.092 local terms energy: -286.845568 where: bonds (distance) C4'-P energy: -46.075 bonds (distance) P-C4' energy: -69.128 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: -77.852 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: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -877.389296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.389296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.389296 (E_RNA) where: Base-Base interactions energy: -598.300 where: short stacking energy: -255.005 Base-Backbone interact. energy: 0.394 local terms energy: -279.483864 where: bonds (distance) C4'-P energy: -51.030 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -64.162 flat angles P-C4'-P energy: -35.518 tors. eta vs tors. theta energy: -66.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -788.051486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.051486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.051486 (E_RNA) where: Base-Base interactions energy: -536.150 where: short stacking energy: -236.320 Base-Backbone interact. energy: -2.510 local terms energy: -249.390762 where: bonds (distance) C4'-P energy: -49.602 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -54.379 flat angles P-C4'-P energy: -31.884 tors. eta vs tors. theta energy: -61.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -798.297363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.297363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.297363 (E_RNA) where: Base-Base interactions energy: -551.842 where: short stacking energy: -234.232 Base-Backbone interact. energy: -1.205 local terms energy: -245.249797 where: bonds (distance) C4'-P energy: -44.918 bonds (distance) P-C4' energy: -53.681 flat angles C4'-P-C4' energy: -49.264 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: -58.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -670.487348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.487348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.487348 (E_RNA) where: Base-Base interactions energy: -442.975 where: short stacking energy: -183.080 Base-Backbone interact. energy: 0.799 local terms energy: -228.311191 where: bonds (distance) C4'-P energy: -46.618 bonds (distance) P-C4' energy: -60.519 flat angles C4'-P-C4' energy: -48.605 flat angles P-C4'-P energy: -34.975 tors. eta vs tors. theta energy: -37.595 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: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -559.091117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.091117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.091117 (E_RNA) where: Base-Base interactions energy: -353.570 where: short stacking energy: -157.296 Base-Backbone interact. energy: 3.424 local terms energy: -208.944549 where: bonds (distance) C4'-P energy: -60.833 bonds (distance) P-C4' energy: -49.868 flat angles C4'-P-C4' energy: -47.848 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -22.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -529.878609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.878609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.878609 (E_RNA) where: Base-Base interactions energy: -330.528 where: short stacking energy: -141.497 Base-Backbone interact. energy: -1.462 local terms energy: -197.888538 where: bonds (distance) C4'-P energy: -36.928 bonds (distance) P-C4' energy: -53.975 flat angles C4'-P-C4' energy: -50.426 flat angles P-C4'-P energy: -29.647 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: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -330.496546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.496546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.496546 (E_RNA) where: Base-Base interactions energy: -159.681 where: short stacking energy: -97.323 Base-Backbone interact. energy: -0.716 local terms energy: -170.099601 where: bonds (distance) C4'-P energy: -41.714 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -40.586 flat angles P-C4'-P energy: -30.745 tors. eta vs tors. theta energy: 1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -972.163247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.163247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.163247 (E_RNA) where: Base-Base interactions energy: -670.221 where: short stacking energy: -306.792 Base-Backbone interact. energy: -0.678 local terms energy: -301.263645 where: bonds (distance) C4'-P energy: -53.726 bonds (distance) P-C4' energy: -53.317 flat angles C4'-P-C4' energy: -62.028 flat angles P-C4'-P energy: -47.574 tors. eta vs tors. theta energy: -84.618 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: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -991.231863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.231863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.231863 (E_RNA) where: Base-Base interactions energy: -701.457 where: short stacking energy: -285.281 Base-Backbone interact. energy: -0.961 local terms energy: -288.814100 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -61.357 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: -72.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -907.801348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.801348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.801348 (E_RNA) where: Base-Base interactions energy: -629.085 where: short stacking energy: -271.204 Base-Backbone interact. energy: -0.716 local terms energy: -278.000147 where: bonds (distance) C4'-P energy: -53.646 bonds (distance) P-C4' energy: -63.537 flat angles C4'-P-C4' energy: -56.298 flat angles P-C4'-P energy: -38.081 tors. eta vs tors. theta energy: -66.438 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: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -858.360047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.360047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.360047 (E_RNA) where: Base-Base interactions energy: -590.715 where: short stacking energy: -242.268 Base-Backbone interact. energy: -0.678 local terms energy: -266.966750 where: bonds (distance) C4'-P energy: -57.842 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -63.485 flat angles P-C4'-P energy: -32.425 tors. eta vs tors. theta energy: -51.882 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: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -802.878578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.878578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.878578 (E_RNA) where: Base-Base interactions energy: -545.057 where: short stacking energy: -212.567 Base-Backbone interact. energy: -1.919 local terms energy: -255.902942 where: bonds (distance) C4'-P energy: -51.243 bonds (distance) P-C4' energy: -58.067 flat angles C4'-P-C4' energy: -53.033 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -54.355 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: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -807.194732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.194732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.194732 (E_RNA) where: Base-Base interactions energy: -557.129 where: short stacking energy: -226.595 Base-Backbone interact. energy: -0.973 local terms energy: -249.092566 where: bonds (distance) C4'-P energy: -47.783 bonds (distance) P-C4' energy: -50.166 flat angles C4'-P-C4' energy: -55.766 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -55.887 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: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -645.867986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.867986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.867986 (E_RNA) where: Base-Base interactions energy: -425.937 where: short stacking energy: -189.624 Base-Backbone interact. energy: 2.710 local terms energy: -222.641822 where: bonds (distance) C4'-P energy: -46.874 bonds (distance) P-C4' energy: -52.151 flat angles C4'-P-C4' energy: -43.934 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: -40.103 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: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -553.381819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.381819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.381819 (E_RNA) where: Base-Base interactions energy: -354.815 where: short stacking energy: -155.613 Base-Backbone interact. energy: -0.740 local terms energy: -197.826804 where: bonds (distance) C4'-P energy: -53.119 bonds (distance) P-C4' energy: -43.893 flat angles C4'-P-C4' energy: -46.773 flat angles P-C4'-P energy: -31.255 tors. eta vs tors. theta energy: -22.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -538.988777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.988777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.988777 (E_RNA) where: Base-Base interactions energy: -353.584 where: short stacking energy: -147.059 Base-Backbone interact. energy: 5.574 local terms energy: -190.978750 where: bonds (distance) C4'-P energy: -54.081 bonds (distance) P-C4' energy: -36.541 flat angles C4'-P-C4' energy: -52.474 flat angles P-C4'-P energy: -24.518 tors. eta vs tors. theta energy: -23.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -341.404639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.404639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.404639 (E_RNA) where: Base-Base interactions energy: -180.309 where: short stacking energy: -105.260 Base-Backbone interact. energy: 1.586 local terms energy: -162.681543 where: bonds (distance) C4'-P energy: -46.647 bonds (distance) P-C4' energy: -37.734 flat angles C4'-P-C4' energy: -53.413 flat angles P-C4'-P energy: -19.148 tors. eta vs tors. theta energy: -5.739 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: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -973.240704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.240704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.240704 (E_RNA) where: Base-Base interactions energy: -672.992 where: short stacking energy: -308.059 Base-Backbone interact. energy: -0.788 local terms energy: -299.460570 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -57.840 flat angles C4'-P-C4' energy: -65.754 flat angles P-C4'-P energy: -36.396 tors. eta vs tors. theta energy: -87.941 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: 115 Temperature: 0.950000 Total energy: -971.596219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.596219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.596219 (E_RNA) where: Base-Base interactions energy: -683.433 where: short stacking energy: -279.726 Base-Backbone interact. energy: -0.015 local terms energy: -288.148804 where: bonds (distance) C4'-P energy: -52.921 bonds (distance) P-C4' energy: -52.113 flat angles C4'-P-C4' energy: -67.164 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -74.074 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -912.430950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.430950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.430950 (E_RNA) where: Base-Base interactions energy: -619.330 where: short stacking energy: -267.392 Base-Backbone interact. energy: -0.489 local terms energy: -292.611896 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -65.842 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: -73.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -869.820360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.820360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.820360 (E_RNA) where: Base-Base interactions energy: -598.439 where: short stacking energy: -257.341 Base-Backbone interact. energy: -1.682 local terms energy: -269.699569 where: bonds (distance) C4'-P energy: -53.010 bonds (distance) P-C4' energy: -53.794 flat angles C4'-P-C4' energy: -53.275 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -70.203 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: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -769.440116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.440116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.440116 (E_RNA) where: Base-Base interactions energy: -527.868 where: short stacking energy: -218.779 Base-Backbone interact. energy: -0.444 local terms energy: -241.128758 where: bonds (distance) C4'-P energy: -46.751 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -50.520 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -50.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -786.224916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.224916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.224916 (E_RNA) where: Base-Base interactions energy: -529.351 where: short stacking energy: -223.648 Base-Backbone interact. energy: -1.554 local terms energy: -255.319190 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -54.404 flat angles C4'-P-C4' energy: -53.321 flat angles P-C4'-P energy: -33.183 tors. eta vs tors. theta energy: -64.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -684.983179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.983179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.983179 (E_RNA) where: Base-Base interactions energy: -458.371 where: short stacking energy: -199.298 Base-Backbone interact. energy: 0.814 local terms energy: -227.427020 where: bonds (distance) C4'-P energy: -53.824 bonds (distance) P-C4' energy: -47.570 flat angles C4'-P-C4' energy: -50.367 flat angles P-C4'-P energy: -30.992 tors. eta vs tors. theta energy: -44.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -574.234562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.234562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.234562 (E_RNA) where: Base-Base interactions energy: -367.291 where: short stacking energy: -171.816 Base-Backbone interact. energy: 0.136 local terms energy: -207.079281 where: bonds (distance) C4'-P energy: -46.445 bonds (distance) P-C4' energy: -49.316 flat angles C4'-P-C4' energy: -52.984 flat angles P-C4'-P energy: -35.428 tors. eta vs tors. theta energy: -22.906 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: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -459.181312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.181312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.181312 (E_RNA) where: Base-Base interactions energy: -293.491 where: short stacking energy: -137.184 Base-Backbone interact. energy: -1.221 local terms energy: -164.469406 where: bonds (distance) C4'-P energy: -47.610 bonds (distance) P-C4' energy: -37.589 flat angles C4'-P-C4' energy: -41.959 flat angles P-C4'-P energy: -18.204 tors. eta vs tors. theta energy: -19.107 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: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -305.405457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.405457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.405457 (E_RNA) where: Base-Base interactions energy: -128.833 where: short stacking energy: -80.242 Base-Backbone interact. energy: -0.538 local terms energy: -176.034448 where: bonds (distance) C4'-P energy: -60.952 bonds (distance) P-C4' energy: -47.961 flat angles C4'-P-C4' energy: -39.984 flat angles P-C4'-P energy: -33.635 tors. eta vs tors. theta energy: 6.497 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: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -990.275215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.275215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.275215 (E_RNA) where: Base-Base interactions energy: -684.153 where: short stacking energy: -272.324 Base-Backbone interact. energy: -1.401 local terms energy: -304.722129 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -62.472 flat angles C4'-P-C4' energy: -62.738 flat angles P-C4'-P energy: -44.104 tors. eta vs tors. theta energy: -73.240 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: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -963.617244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.617244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.617244 (E_RNA) where: Base-Base interactions energy: -650.821 where: short stacking energy: -303.295 Base-Backbone interact. energy: -0.589 local terms energy: -312.207755 where: bonds (distance) C4'-P energy: -61.868 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -63.260 flat angles P-C4'-P energy: -40.189 tors. eta vs tors. theta energy: -91.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -914.973087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.973087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.973087 (E_RNA) where: Base-Base interactions energy: -627.146 where: short stacking energy: -265.765 Base-Backbone interact. energy: -2.929 local terms energy: -284.898211 where: bonds (distance) C4'-P energy: -59.110 bonds (distance) P-C4' energy: -56.758 flat angles C4'-P-C4' energy: -57.035 flat angles P-C4'-P energy: -38.469 tors. eta vs tors. theta energy: -73.527 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: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -918.209293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.209293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.209293 (E_RNA) where: Base-Base interactions energy: -646.554 where: short stacking energy: -279.592 Base-Backbone interact. energy: 0.651 local terms energy: -272.306743 where: bonds (distance) C4'-P energy: -66.738 bonds (distance) P-C4' energy: -46.156 flat angles C4'-P-C4' energy: -54.317 flat angles P-C4'-P energy: -35.802 tors. eta vs tors. theta energy: -69.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -762.270347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.270347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.270347 (E_RNA) where: Base-Base interactions energy: -512.949 where: short stacking energy: -219.451 Base-Backbone interact. energy: 1.928 local terms energy: -251.249587 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -52.536 flat angles C4'-P-C4' energy: -56.361 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -52.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -781.063216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.063216 (E_RNA) where: Base-Base interactions energy: -515.903 where: short stacking energy: -220.612 Base-Backbone interact. energy: -0.781 local terms energy: -264.378785 where: bonds (distance) C4'-P energy: -51.717 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -33.410 tors. eta vs tors. theta energy: -62.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -673.753456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.753456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.753456 (E_RNA) where: Base-Base interactions energy: -451.404 where: short stacking energy: -195.300 Base-Backbone interact. energy: 0.173 local terms energy: -222.521832 where: bonds (distance) C4'-P energy: -49.632 bonds (distance) P-C4' energy: -39.914 flat angles C4'-P-C4' energy: -59.434 flat angles P-C4'-P energy: -40.538 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: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -554.162844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.162844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.162844 (E_RNA) where: Base-Base interactions energy: -337.118 where: short stacking energy: -156.912 Base-Backbone interact. energy: 0.982 local terms energy: -218.026225 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -53.103 flat angles C4'-P-C4' energy: -53.871 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -21.163 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: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -338.950158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.950158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.950158 (E_RNA) where: Base-Base interactions energy: -171.932 where: short stacking energy: -78.848 Base-Backbone interact. energy: -0.451 local terms energy: -166.566455 where: bonds (distance) C4'-P energy: -46.531 bonds (distance) P-C4' energy: -50.320 flat angles C4'-P-C4' energy: -45.702 flat angles P-C4'-P energy: -26.588 tors. eta vs tors. theta energy: 2.574 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: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -439.463971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.463971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.463971 (E_RNA) where: Base-Base interactions energy: -244.840 where: short stacking energy: -138.417 Base-Backbone interact. energy: 2.953 local terms energy: -197.577206 where: bonds (distance) C4'-P energy: -34.122 bonds (distance) P-C4' energy: -52.085 flat angles C4'-P-C4' energy: -53.278 flat angles P-C4'-P energy: -38.254 tors. eta vs tors. theta energy: -19.838 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: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -992.591821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.591821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.591821 (E_RNA) where: Base-Base interactions energy: -693.287 where: short stacking energy: -290.933 Base-Backbone interact. energy: -1.170 local terms energy: -298.134783 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -49.468 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -40.366 tors. eta vs tors. theta energy: -79.334 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: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -943.306130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.306130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.306130 (E_RNA) where: Base-Base interactions energy: -644.669 where: short stacking energy: -293.315 Base-Backbone interact. energy: -1.461 local terms energy: -297.176557 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -57.485 flat angles C4'-P-C4' energy: -65.621 flat angles P-C4'-P energy: -40.563 tors. eta vs tors. theta energy: -78.506 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: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -902.747623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.747623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.747623 (E_RNA) where: Base-Base interactions energy: -637.785 where: short stacking energy: -269.783 Base-Backbone interact. energy: -1.043 local terms energy: -263.919798 where: bonds (distance) C4'-P energy: -53.265 bonds (distance) P-C4' energy: -53.008 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -66.510 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: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -907.743822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.743822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.743822 (E_RNA) where: Base-Base interactions energy: -634.102 where: short stacking energy: -264.538 Base-Backbone interact. energy: -2.730 local terms energy: -270.912157 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -55.716 flat angles C4'-P-C4' energy: -52.481 flat angles P-C4'-P energy: -34.090 tors. eta vs tors. theta energy: -74.482 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: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -779.961965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.961965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.961965 (E_RNA) where: Base-Base interactions energy: -531.449 where: short stacking energy: -223.704 Base-Backbone interact. energy: 0.783 local terms energy: -249.295584 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -47.495 flat angles C4'-P-C4' energy: -58.678 flat angles P-C4'-P energy: -32.997 tors. eta vs tors. theta energy: -54.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -798.583151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.583151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.583151 (E_RNA) where: Base-Base interactions energy: -549.537 where: short stacking energy: -256.461 Base-Backbone interact. energy: -0.723 local terms energy: -248.322391 where: bonds (distance) C4'-P energy: -48.602 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -18.321 tors. eta vs tors. theta energy: -63.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -685.871487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.871487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.871487 (E_RNA) where: Base-Base interactions energy: -444.877 where: short stacking energy: -187.590 Base-Backbone interact. energy: -1.480 local terms energy: -239.515373 where: bonds (distance) C4'-P energy: -54.617 bonds (distance) P-C4' energy: -46.480 flat angles C4'-P-C4' energy: -56.276 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -36.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -572.300510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.300510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.300510 (E_RNA) where: Base-Base interactions energy: -363.439 where: short stacking energy: -185.105 Base-Backbone interact. energy: -1.029 local terms energy: -207.832374 where: bonds (distance) C4'-P energy: -50.107 bonds (distance) P-C4' energy: -49.993 flat angles C4'-P-C4' energy: -49.118 flat angles P-C4'-P energy: -28.840 tors. eta vs tors. theta energy: -29.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -331.943473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.943473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.943473 (E_RNA) where: Base-Base interactions energy: -151.028 where: short stacking energy: -98.907 Base-Backbone interact. energy: -0.660 local terms energy: -180.255002 where: bonds (distance) C4'-P energy: -49.797 bonds (distance) P-C4' energy: -47.690 flat angles C4'-P-C4' energy: -48.563 flat angles P-C4'-P energy: -28.118 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -390.215235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.215235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.215235 (E_RNA) where: Base-Base interactions energy: -240.804 where: short stacking energy: -103.080 Base-Backbone interact. energy: -1.626 local terms energy: -147.785573 where: bonds (distance) C4'-P energy: -42.766 bonds (distance) P-C4' energy: -43.130 flat angles C4'-P-C4' energy: -43.274 flat angles P-C4'-P energy: -28.276 tors. eta vs tors. theta energy: 9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -985.895320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.895320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.895320 (E_RNA) where: Base-Base interactions energy: -693.017 where: short stacking energy: -299.654 Base-Backbone interact. energy: -1.360 local terms energy: -291.518632 where: bonds (distance) C4'-P energy: -49.303 bonds (distance) P-C4' energy: -59.665 flat angles C4'-P-C4' energy: -58.107 flat angles P-C4'-P energy: -42.014 tors. eta vs tors. theta energy: -82.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -952.169599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.169599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.169599 (E_RNA) where: Base-Base interactions energy: -650.685 where: short stacking energy: -300.348 Base-Backbone interact. energy: -0.482 local terms energy: -301.002854 where: bonds (distance) C4'-P energy: -59.212 bonds (distance) P-C4' energy: -52.707 flat angles C4'-P-C4' energy: -65.308 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -75.039 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -924.060853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.060853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.060853 (E_RNA) where: Base-Base interactions energy: -648.882 where: short stacking energy: -272.587 Base-Backbone interact. energy: 2.597 local terms energy: -277.775787 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -48.704 flat angles C4'-P-C4' energy: -59.604 flat angles P-C4'-P energy: -37.990 tors. eta vs tors. theta energy: -71.832 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: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -877.087571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.087571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.087571 (E_RNA) where: Base-Base interactions energy: -597.708 where: short stacking energy: -248.303 Base-Backbone interact. energy: 0.490 local terms energy: -279.869309 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -59.963 flat angles C4'-P-C4' energy: -63.075 flat angles P-C4'-P energy: -37.986 tors. eta vs tors. theta energy: -63.937 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: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -837.430261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.430261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.430261 (E_RNA) where: Base-Base interactions energy: -577.013 where: short stacking energy: -270.335 Base-Backbone interact. energy: 0.444 local terms energy: -260.861909 where: bonds (distance) C4'-P energy: -42.130 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -25.379 tors. eta vs tors. theta energy: -68.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -776.408187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.408187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.408187 (E_RNA) where: Base-Base interactions energy: -522.765 where: short stacking energy: -226.542 Base-Backbone interact. energy: 1.346 local terms energy: -254.989210 where: bonds (distance) C4'-P energy: -55.165 bonds (distance) P-C4' energy: -51.455 flat angles C4'-P-C4' energy: -55.075 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: -57.393 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: 118 Temperature: 1.200000 Total energy: -735.788360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.788360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.788360 (E_RNA) where: Base-Base interactions energy: -490.649 where: short stacking energy: -189.616 Base-Backbone interact. energy: -1.055 local terms energy: -244.084382 where: bonds (distance) C4'-P energy: -49.673 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -42.964 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: -55.639 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: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -554.488395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.488395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.488395 (E_RNA) where: Base-Base interactions energy: -347.581 where: short stacking energy: -142.482 Base-Backbone interact. energy: 0.502 local terms energy: -207.408921 where: bonds (distance) C4'-P energy: -54.022 bonds (distance) P-C4' energy: -46.274 flat angles C4'-P-C4' energy: -52.915 flat angles P-C4'-P energy: -25.625 tors. eta vs tors. theta energy: -28.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -427.909806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.909806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.909806 (E_RNA) where: Base-Base interactions energy: -256.536 where: short stacking energy: -121.447 Base-Backbone interact. energy: 0.545 local terms energy: -171.918986 where: bonds (distance) C4'-P energy: -40.145 bonds (distance) P-C4' energy: -54.477 flat angles C4'-P-C4' energy: -43.912 flat angles P-C4'-P energy: -24.584 tors. eta vs tors. theta energy: -8.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -330.535666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.535666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.535666 (E_RNA) where: Base-Base interactions energy: -127.990 where: short stacking energy: -86.955 Base-Backbone interact. energy: 1.050 local terms energy: -203.595595 where: bonds (distance) C4'-P energy: -55.286 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -48.135 flat angles P-C4'-P energy: -26.709 tors. eta vs tors. theta energy: -12.069 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: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -990.421817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.421817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.421817 (E_RNA) where: Base-Base interactions energy: -690.420 where: short stacking energy: -287.236 Base-Backbone interact. energy: 0.298 local terms energy: -300.299141 where: bonds (distance) C4'-P energy: -59.092 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -37.311 tors. eta vs tors. theta energy: -77.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -973.571825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.571825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.571825 (E_RNA) where: Base-Base interactions energy: -655.167 where: short stacking energy: -296.381 Base-Backbone interact. energy: -0.539 local terms energy: -317.866137 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: -82.619 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: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -942.154080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.154080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.154080 (E_RNA) where: Base-Base interactions energy: -651.349 where: short stacking energy: -277.518 Base-Backbone interact. energy: -0.337 local terms energy: -290.467390 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -52.181 flat angles C4'-P-C4' energy: -60.201 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -65.973 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: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -853.063310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.063310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.063310 (E_RNA) where: Base-Base interactions energy: -581.020 where: short stacking energy: -244.578 Base-Backbone interact. energy: -1.685 local terms energy: -270.358419 where: bonds (distance) C4'-P energy: -49.899 bonds (distance) P-C4' energy: -52.481 flat angles C4'-P-C4' energy: -57.887 flat angles P-C4'-P energy: -44.466 tors. eta vs tors. theta energy: -65.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -855.123793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.123793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.123793 (E_RNA) where: Base-Base interactions energy: -591.085 where: short stacking energy: -249.045 Base-Backbone interact. energy: -2.915 local terms energy: -261.124117 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -58.960 flat angles C4'-P-C4' energy: -60.951 flat angles P-C4'-P energy: -22.790 tors. eta vs tors. theta energy: -64.507 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: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -787.090108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.090108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.090108 (E_RNA) where: Base-Base interactions energy: -563.453 where: short stacking energy: -236.826 Base-Backbone interact. energy: -0.987 local terms energy: -222.650268 where: bonds (distance) C4'-P energy: -33.967 bonds (distance) P-C4' energy: -47.601 flat angles C4'-P-C4' energy: -42.607 flat angles P-C4'-P energy: -34.760 tors. eta vs tors. theta energy: -63.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -739.869229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.869229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.869229 (E_RNA) where: Base-Base interactions energy: -508.452 where: short stacking energy: -225.117 Base-Backbone interact. energy: -1.135 local terms energy: -230.283091 where: bonds (distance) C4'-P energy: -45.824 bonds (distance) P-C4' energy: -37.515 flat angles C4'-P-C4' energy: -53.471 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: -55.445 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: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -568.005184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.005184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.005184 (E_RNA) where: Base-Base interactions energy: -346.609 where: short stacking energy: -155.812 Base-Backbone interact. energy: -0.615 local terms energy: -220.781287 where: bonds (distance) C4'-P energy: -49.498 bonds (distance) P-C4' energy: -50.893 flat angles C4'-P-C4' energy: -52.913 flat angles P-C4'-P energy: -37.707 tors. eta vs tors. theta energy: -29.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -469.213013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.213013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.213013 (E_RNA) where: Base-Base interactions energy: -286.920 where: short stacking energy: -147.848 Base-Backbone interact. energy: -0.992 local terms energy: -181.301039 where: bonds (distance) C4'-P energy: -40.555 bonds (distance) P-C4' energy: -45.246 flat angles C4'-P-C4' energy: -48.498 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -33.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -331.045383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.045383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.045383 (E_RNA) where: Base-Base interactions energy: -157.962 where: short stacking energy: -93.210 Base-Backbone interact. energy: 2.566 local terms energy: -175.649899 where: bonds (distance) C4'-P energy: -42.722 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -49.597 flat angles P-C4'-P energy: -22.523 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: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -993.896825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.896825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.896825 (E_RNA) where: Base-Base interactions energy: -695.469 where: short stacking energy: -286.883 Base-Backbone interact. energy: -2.446 local terms energy: -295.981338 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -58.741 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -74.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -970.064440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.064440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.064440 (E_RNA) where: Base-Base interactions energy: -674.160 where: short stacking energy: -286.398 Base-Backbone interact. energy: 2.179 local terms energy: -298.082751 where: bonds (distance) C4'-P energy: -56.411 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -58.581 flat angles P-C4'-P energy: -46.469 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: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -908.839883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.839883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.839883 (E_RNA) where: Base-Base interactions energy: -637.451 where: short stacking energy: -272.893 Base-Backbone interact. energy: -1.146 local terms energy: -270.243057 where: bonds (distance) C4'-P energy: -49.922 bonds (distance) P-C4' energy: -51.698 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -31.867 tors. eta vs tors. theta energy: -69.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -878.314933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.314933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.314933 (E_RNA) where: Base-Base interactions energy: -580.616 where: short stacking energy: -259.209 Base-Backbone interact. energy: -3.037 local terms energy: -294.661151 where: bonds (distance) C4'-P energy: -56.113 bonds (distance) P-C4' energy: -53.066 flat angles C4'-P-C4' energy: -63.996 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -70.846 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: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -860.584897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.584897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.584897 (E_RNA) where: Base-Base interactions energy: -575.936 where: short stacking energy: -243.955 Base-Backbone interact. energy: 1.296 local terms energy: -285.944489 where: bonds (distance) C4'-P energy: -50.524 bonds (distance) P-C4' energy: -58.262 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -72.055 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: 120 Temperature: 1.150000 Total energy: -751.863781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.863781 (E_RNA) where: Base-Base interactions energy: -500.422 where: short stacking energy: -216.583 Base-Backbone interact. energy: -0.607 local terms energy: -250.834961 where: bonds (distance) C4'-P energy: -49.539 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -32.733 tors. eta vs tors. theta energy: -50.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -767.187312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.187312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.187312 (E_RNA) where: Base-Base interactions energy: -544.459 where: short stacking energy: -229.711 Base-Backbone interact. energy: 0.712 local terms energy: -223.440740 where: bonds (distance) C4'-P energy: -49.837 bonds (distance) P-C4' energy: -43.294 flat angles C4'-P-C4' energy: -46.820 flat angles P-C4'-P energy: -29.742 tors. eta vs tors. theta energy: -53.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -541.137311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.137311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.137311 (E_RNA) where: Base-Base interactions energy: -332.750 where: short stacking energy: -152.258 Base-Backbone interact. energy: -1.320 local terms energy: -207.067096 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -48.690 flat angles C4'-P-C4' energy: -47.166 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: -24.512 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: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -520.700605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.700605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.700605 (E_RNA) where: Base-Base interactions energy: -327.391 where: short stacking energy: -178.133 Base-Backbone interact. energy: 0.769 local terms energy: -194.079411 where: bonds (distance) C4'-P energy: -35.815 bonds (distance) P-C4' energy: -47.496 flat angles C4'-P-C4' energy: -50.801 flat angles P-C4'-P energy: -21.590 tors. eta vs tors. theta energy: -38.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -334.680840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.680840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.680840 (E_RNA) where: Base-Base interactions energy: -172.856 where: short stacking energy: -101.666 Base-Backbone interact. energy: -1.482 local terms energy: -160.343198 where: bonds (distance) C4'-P energy: -44.907 bonds (distance) P-C4' energy: -44.844 flat angles C4'-P-C4' energy: -48.583 flat angles P-C4'-P energy: -21.910 tors. eta vs tors. theta energy: -0.099 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1006.406014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.406014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.406014 (E_RNA) where: Base-Base interactions energy: -694.488 where: short stacking energy: -285.963 Base-Backbone interact. energy: -2.522 local terms energy: -309.395114 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -62.033 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -78.071 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: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -975.838693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.838693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.838693 (E_RNA) where: Base-Base interactions energy: -674.128 where: short stacking energy: -288.747 Base-Backbone interact. energy: 0.952 local terms energy: -302.662167 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -60.611 flat angles P-C4'-P energy: -41.595 tors. eta vs tors. theta energy: -80.999 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: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -892.341289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.341289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.341289 (E_RNA) where: Base-Base interactions energy: -616.698 where: short stacking energy: -281.898 Base-Backbone interact. energy: -0.369 local terms energy: -275.273570 where: bonds (distance) C4'-P energy: -46.219 bonds (distance) P-C4' energy: -51.094 flat angles C4'-P-C4' energy: -64.166 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -74.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -855.864047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.864047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.864047 (E_RNA) where: Base-Base interactions energy: -577.453 where: short stacking energy: -253.735 Base-Backbone interact. energy: 0.435 local terms energy: -278.846092 where: bonds (distance) C4'-P energy: -53.070 bonds (distance) P-C4' energy: -42.462 flat angles C4'-P-C4' energy: -65.031 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -73.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -870.443611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.443611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.443611 (E_RNA) where: Base-Base interactions energy: -599.966 where: short stacking energy: -249.298 Base-Backbone interact. energy: -2.268 local terms energy: -268.210095 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -48.996 flat angles P-C4'-P energy: -34.851 tors. eta vs tors. theta energy: -66.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -823.705497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.705497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.705497 (E_RNA) where: Base-Base interactions energy: -581.456 where: short stacking energy: -236.553 Base-Backbone interact. energy: -0.883 local terms energy: -241.367295 where: bonds (distance) C4'-P energy: -52.552 bonds (distance) P-C4' energy: -48.062 flat angles C4'-P-C4' energy: -51.969 flat angles P-C4'-P energy: -33.154 tors. eta vs tors. theta energy: -55.631 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: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -742.437272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.437272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.437272 (E_RNA) where: Base-Base interactions energy: -516.695 where: short stacking energy: -213.884 Base-Backbone interact. energy: 0.171 local terms energy: -225.913299 where: bonds (distance) C4'-P energy: -53.320 bonds (distance) P-C4' energy: -40.085 flat angles C4'-P-C4' energy: -43.380 flat angles P-C4'-P energy: -35.202 tors. eta vs tors. theta energy: -53.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -565.394306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.394306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.394306 (E_RNA) where: Base-Base interactions energy: -347.996 where: short stacking energy: -163.605 Base-Backbone interact. energy: -1.206 local terms energy: -216.192160 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -60.527 flat angles P-C4'-P energy: -23.530 tors. eta vs tors. theta energy: -27.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -456.629235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.629235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.629235 (E_RNA) where: Base-Base interactions energy: -272.625 where: short stacking energy: -131.497 Base-Backbone interact. energy: 2.161 local terms energy: -186.165103 where: bonds (distance) C4'-P energy: -48.107 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -46.432 flat angles P-C4'-P energy: -28.403 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -305.950566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.950566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.950566 (E_RNA) where: Base-Base interactions energy: -158.636 where: short stacking energy: -92.181 Base-Backbone interact. energy: 0.165 local terms energy: -147.479750 where: bonds (distance) C4'-P energy: -36.888 bonds (distance) P-C4' energy: -54.473 flat angles C4'-P-C4' energy: -39.493 flat angles P-C4'-P energy: -24.394 tors. eta vs tors. theta energy: 7.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -998.896358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.896358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.896358 (E_RNA) where: Base-Base interactions energy: -698.420 where: short stacking energy: -302.508 Base-Backbone interact. energy: -0.174 local terms energy: -300.302137 where: bonds (distance) C4'-P energy: -56.845 bonds (distance) P-C4' energy: -51.317 flat angles C4'-P-C4' energy: -64.476 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -79.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -953.119322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.119322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.119322 (E_RNA) where: Base-Base interactions energy: -663.301 where: short stacking energy: -290.169 Base-Backbone interact. energy: 2.672 local terms energy: -292.490367 where: bonds (distance) C4'-P energy: -53.393 bonds (distance) P-C4' energy: -59.434 flat angles C4'-P-C4' energy: -65.868 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: -73.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -905.081410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.081410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.081410 (E_RNA) where: Base-Base interactions energy: -610.197 where: short stacking energy: -259.288 Base-Backbone interact. energy: -1.451 local terms energy: -293.433117 where: bonds (distance) C4'-P energy: -58.217 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -62.442 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -71.977 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: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -880.893907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.893907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.893907 (E_RNA) where: Base-Base interactions energy: -589.407 where: short stacking energy: -246.667 Base-Backbone interact. energy: 1.534 local terms energy: -293.020765 where: bonds (distance) C4'-P energy: -59.838 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -60.704 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: -67.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -836.481227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.481227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.481227 (E_RNA) where: Base-Base interactions energy: -577.806 where: short stacking energy: -238.983 Base-Backbone interact. energy: -1.078 local terms energy: -257.597611 where: bonds (distance) C4'-P energy: -51.042 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -46.792 flat angles P-C4'-P energy: -42.835 tors. eta vs tors. theta energy: -54.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -848.320685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.320685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.320685 (E_RNA) where: Base-Base interactions energy: -570.347 where: short stacking energy: -239.383 Base-Backbone interact. energy: -0.661 local terms energy: -277.312599 where: bonds (distance) C4'-P energy: -51.753 bonds (distance) P-C4' energy: -50.199 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -38.961 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: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -669.710755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.710755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.710755 (E_RNA) where: Base-Base interactions energy: -462.841 where: short stacking energy: -192.157 Base-Backbone interact. energy: -3.129 local terms energy: -203.741189 where: bonds (distance) C4'-P energy: -37.992 bonds (distance) P-C4' energy: -52.151 flat angles C4'-P-C4' energy: -58.345 flat angles P-C4'-P energy: -23.285 tors. eta vs tors. theta energy: -31.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -539.970062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.970062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.970062 (E_RNA) where: Base-Base interactions energy: -346.149 where: short stacking energy: -158.640 Base-Backbone interact. energy: -1.243 local terms energy: -192.577799 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -48.196 flat angles C4'-P-C4' energy: -47.389 flat angles P-C4'-P energy: -18.369 tors. eta vs tors. theta energy: -16.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -470.831309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.831309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.831309 (E_RNA) where: Base-Base interactions energy: -287.406 where: short stacking energy: -145.821 Base-Backbone interact. energy: 0.149 local terms energy: -183.573980 where: bonds (distance) C4'-P energy: -45.602 bonds (distance) P-C4' energy: -47.380 flat angles C4'-P-C4' energy: -51.063 flat angles P-C4'-P energy: -22.901 tors. eta vs tors. theta energy: -16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -311.651965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.651965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.651965 (E_RNA) where: Base-Base interactions energy: -136.575 where: short stacking energy: -83.422 Base-Backbone interact. energy: -0.993 local terms energy: -174.084427 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -52.857 flat angles C4'-P-C4' energy: -48.667 flat angles P-C4'-P energy: -20.488 tors. eta vs tors. theta energy: 7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -979.222811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.222811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.222811 (E_RNA) where: Base-Base interactions energy: -674.648 where: short stacking energy: -279.268 Base-Backbone interact. energy: -0.145 local terms energy: -304.430201 where: bonds (distance) C4'-P energy: -62.548 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -61.571 flat angles P-C4'-P energy: -45.942 tors. eta vs tors. theta energy: -77.256 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -960.107621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.107621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.107621 (E_RNA) where: Base-Base interactions energy: -656.798 where: short stacking energy: -311.128 Base-Backbone interact. energy: -1.053 local terms energy: -302.256554 where: bonds (distance) C4'-P energy: -56.308 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -43.874 tors. eta vs tors. theta energy: -82.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -917.278648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.278648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.278648 (E_RNA) where: Base-Base interactions energy: -637.766 where: short stacking energy: -261.436 Base-Backbone interact. energy: -0.376 local terms energy: -279.136681 where: bonds (distance) C4'-P energy: -52.112 bonds (distance) P-C4' energy: -56.809 flat angles C4'-P-C4' energy: -66.059 flat angles P-C4'-P energy: -38.419 tors. eta vs tors. theta energy: -65.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -923.362973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.362973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.362973 (E_RNA) where: Base-Base interactions energy: -643.636 where: short stacking energy: -269.139 Base-Backbone interact. energy: -1.072 local terms energy: -278.654731 where: bonds (distance) C4'-P energy: -43.271 bonds (distance) P-C4' energy: -60.342 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: -67.058 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: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -830.546066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.546066 (E_RNA) where: Base-Base interactions energy: -563.694 where: short stacking energy: -254.925 Base-Backbone interact. energy: 0.968 local terms energy: -267.819918 where: bonds (distance) C4'-P energy: -58.953 bonds (distance) P-C4' energy: -51.259 flat angles C4'-P-C4' energy: -56.059 flat angles P-C4'-P energy: -37.660 tors. eta vs tors. theta energy: -63.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -856.865366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.865366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.865366 (E_RNA) where: Base-Base interactions energy: -591.400 where: short stacking energy: -265.940 Base-Backbone interact. energy: -1.182 local terms energy: -264.284020 where: bonds (distance) C4'-P energy: -53.136 bonds (distance) P-C4' energy: -46.290 flat angles C4'-P-C4' energy: -59.821 flat angles P-C4'-P energy: -33.182 tors. eta vs tors. theta energy: -71.855 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: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -666.816891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.816891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.816891 (E_RNA) where: Base-Base interactions energy: -447.467 where: short stacking energy: -203.351 Base-Backbone interact. energy: 1.192 local terms energy: -220.542062 where: bonds (distance) C4'-P energy: -45.654 bonds (distance) P-C4' energy: -48.944 flat angles C4'-P-C4' energy: -53.107 flat angles P-C4'-P energy: -27.473 tors. eta vs tors. theta energy: -45.364 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: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -497.507719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.507719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.507719 (E_RNA) where: Base-Base interactions energy: -278.559 where: short stacking energy: -138.367 Base-Backbone interact. energy: 0.032 local terms energy: -218.981486 where: bonds (distance) C4'-P energy: -56.852 bonds (distance) P-C4' energy: -48.903 flat angles C4'-P-C4' energy: -52.530 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -449.186595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.186595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.186595 (E_RNA) where: Base-Base interactions energy: -259.126 where: short stacking energy: -131.126 Base-Backbone interact. energy: -1.244 local terms energy: -188.816742 where: bonds (distance) C4'-P energy: -53.476 bonds (distance) P-C4' energy: -44.806 flat angles C4'-P-C4' energy: -42.257 flat angles P-C4'-P energy: -26.165 tors. eta vs tors. theta energy: -22.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -347.184203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.184203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.184203 (E_RNA) where: Base-Base interactions energy: -189.889 where: short stacking energy: -103.906 Base-Backbone interact. energy: 0.635 local terms energy: -157.929847 where: bonds (distance) C4'-P energy: -44.810 bonds (distance) P-C4' energy: -42.720 flat angles C4'-P-C4' energy: -40.034 flat angles P-C4'-P energy: -15.965 tors. eta vs tors. theta energy: -14.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -994.991788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.991788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.991788 (E_RNA) where: Base-Base interactions energy: -683.544 where: short stacking energy: -295.226 Base-Backbone interact. energy: -1.552 local terms energy: -309.895917 where: bonds (distance) C4'-P energy: -57.345 bonds (distance) P-C4' energy: -60.526 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -44.706 tors. eta vs tors. theta energy: -82.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -951.820733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.820733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.820733 (E_RNA) where: Base-Base interactions energy: -666.476 where: short stacking energy: -300.439 Base-Backbone interact. energy: -0.578 local terms energy: -284.767102 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -66.253 flat angles P-C4'-P energy: -31.817 tors. eta vs tors. theta energy: -82.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -954.419466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.419466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.419466 (E_RNA) where: Base-Base interactions energy: -665.003 where: short stacking energy: -284.734 Base-Backbone interact. energy: -0.850 local terms energy: -288.567096 where: bonds (distance) C4'-P energy: -50.309 bonds (distance) P-C4' energy: -51.024 flat angles C4'-P-C4' energy: -61.095 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -79.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -883.634118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.634118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.634118 (E_RNA) where: Base-Base interactions energy: -607.844 where: short stacking energy: -254.459 Base-Backbone interact. energy: -1.573 local terms energy: -274.216857 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -50.896 flat angles C4'-P-C4' energy: -63.889 flat angles P-C4'-P energy: -34.893 tors. eta vs tors. theta energy: -71.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -864.215326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.215326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.215326 (E_RNA) where: Base-Base interactions energy: -578.820 where: short stacking energy: -241.822 Base-Backbone interact. energy: -1.837 local terms energy: -283.558068 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -60.187 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: -72.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -787.985693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.985693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.985693 (E_RNA) where: Base-Base interactions energy: -553.675 where: short stacking energy: -243.373 Base-Backbone interact. energy: -0.834 local terms energy: -233.476558 where: bonds (distance) C4'-P energy: -42.856 bonds (distance) P-C4' energy: -46.254 flat angles C4'-P-C4' energy: -51.498 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -64.404 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: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -616.746593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.746593 (E_RNA) where: Base-Base interactions energy: -396.637 where: short stacking energy: -180.069 Base-Backbone interact. energy: 0.941 local terms energy: -221.050645 where: bonds (distance) C4'-P energy: -45.238 bonds (distance) P-C4' energy: -51.822 flat angles C4'-P-C4' energy: -50.776 flat angles P-C4'-P energy: -37.260 tors. eta vs tors. theta energy: -35.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -513.100008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.100008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.100008 (E_RNA) where: Base-Base interactions energy: -314.483 where: short stacking energy: -140.058 Base-Backbone interact. energy: -1.437 local terms energy: -197.179747 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -44.438 flat angles P-C4'-P energy: -21.153 tors. eta vs tors. theta energy: -21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -475.324763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.324763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.324763 (E_RNA) where: Base-Base interactions energy: -286.631 where: short stacking energy: -133.574 Base-Backbone interact. energy: 0.166 local terms energy: -188.859720 where: bonds (distance) C4'-P energy: -44.468 bonds (distance) P-C4' energy: -46.291 flat angles C4'-P-C4' energy: -44.875 flat angles P-C4'-P energy: -29.644 tors. eta vs tors. theta energy: -23.581 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: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -350.012301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.012301 (E_RNA) where: Base-Base interactions energy: -183.061 where: short stacking energy: -99.001 Base-Backbone interact. energy: -1.203 local terms energy: -165.747984 where: bonds (distance) C4'-P energy: -39.338 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -41.999 flat angles P-C4'-P energy: -32.578 tors. eta vs tors. theta energy: -0.448 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: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -986.722861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.722861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.722861 (E_RNA) where: Base-Base interactions energy: -688.074 where: short stacking energy: -294.429 Base-Backbone interact. energy: -0.506 local terms energy: -298.142870 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -61.146 flat angles C4'-P-C4' energy: -56.331 flat angles P-C4'-P energy: -44.335 tors. eta vs tors. theta energy: -80.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -967.563186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.563186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.563186 (E_RNA) where: Base-Base interactions energy: -680.674 where: short stacking energy: -274.137 Base-Backbone interact. energy: -0.726 local terms energy: -286.163560 where: bonds (distance) C4'-P energy: -59.525 bonds (distance) P-C4' energy: -57.841 flat angles C4'-P-C4' energy: -58.258 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -70.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -948.038711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.038711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.038711 (E_RNA) where: Base-Base interactions energy: -645.114 where: short stacking energy: -297.981 Base-Backbone interact. energy: -0.441 local terms energy: -302.483793 where: bonds (distance) C4'-P energy: -54.460 bonds (distance) P-C4' energy: -52.054 flat angles C4'-P-C4' energy: -62.023 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -87.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -895.826668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.826668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.826668 (E_RNA) where: Base-Base interactions energy: -622.605 where: short stacking energy: -266.227 Base-Backbone interact. energy: -2.131 local terms energy: -271.090599 where: bonds (distance) C4'-P energy: -60.273 bonds (distance) P-C4' energy: -49.224 flat angles C4'-P-C4' energy: -54.987 flat angles P-C4'-P energy: -30.459 tors. eta vs tors. theta energy: -76.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -858.857528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.857528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.857528 (E_RNA) where: Base-Base interactions energy: -572.186 where: short stacking energy: -239.615 Base-Backbone interact. energy: -0.800 local terms energy: -285.871224 where: bonds (distance) C4'-P energy: -48.061 bonds (distance) P-C4' energy: -62.017 flat angles C4'-P-C4' energy: -63.153 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -63.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -772.431339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.431339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.431339 (E_RNA) where: Base-Base interactions energy: -527.118 where: short stacking energy: -232.709 Base-Backbone interact. energy: -0.727 local terms energy: -244.586111 where: bonds (distance) C4'-P energy: -49.091 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -31.720 tors. eta vs tors. theta energy: -53.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -646.716415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.716415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.716415 (E_RNA) where: Base-Base interactions energy: -403.500 where: short stacking energy: -191.275 Base-Backbone interact. energy: -0.493 local terms energy: -242.723398 where: bonds (distance) C4'-P energy: -46.376 bonds (distance) P-C4' energy: -59.481 flat angles C4'-P-C4' energy: -50.259 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: -43.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -546.930415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.930415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.930415 (E_RNA) where: Base-Base interactions energy: -325.906 where: short stacking energy: -155.352 Base-Backbone interact. energy: -2.157 local terms energy: -218.867428 where: bonds (distance) C4'-P energy: -44.561 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -49.546 flat angles P-C4'-P energy: -33.356 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: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -448.027077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.027077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.027077 (E_RNA) where: Base-Base interactions energy: -283.762 where: short stacking energy: -128.569 Base-Backbone interact. energy: -1.404 local terms energy: -162.860272 where: bonds (distance) C4'-P energy: -46.543 bonds (distance) P-C4' energy: -39.212 flat angles C4'-P-C4' energy: -47.790 flat angles P-C4'-P energy: -29.410 tors. eta vs tors. theta energy: 0.095 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: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -317.984719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.984719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.984719 (E_RNA) where: Base-Base interactions energy: -151.312 where: short stacking energy: -100.802 Base-Backbone interact. energy: 0.305 local terms energy: -166.977249 where: bonds (distance) C4'-P energy: -48.354 bonds (distance) P-C4' energy: -45.324 flat angles C4'-P-C4' energy: -47.967 flat angles P-C4'-P energy: -28.328 tors. eta vs tors. theta energy: 2.995 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: 1, replica: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1017.713009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.713009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.713009 (E_RNA) where: Base-Base interactions energy: -719.839 where: short stacking energy: -295.552 Base-Backbone interact. energy: -0.655 local terms energy: -297.219693 where: bonds (distance) C4'-P energy: -54.379 bonds (distance) P-C4' energy: -56.265 flat angles C4'-P-C4' energy: -60.682 flat angles P-C4'-P energy: -48.374 tors. eta vs tors. theta energy: -77.520 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: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -975.461084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.461084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.461084 (E_RNA) where: Base-Base interactions energy: -678.606 where: short stacking energy: -279.336 Base-Backbone interact. energy: -0.180 local terms energy: -296.675203 where: bonds (distance) C4'-P energy: -55.156 bonds (distance) P-C4' energy: -49.752 flat angles C4'-P-C4' energy: -72.269 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -78.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -932.031034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.031034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.031034 (E_RNA) where: Base-Base interactions energy: -628.379 where: short stacking energy: -259.392 Base-Backbone interact. energy: -0.216 local terms energy: -303.435341 where: bonds (distance) C4'-P energy: -67.465 bonds (distance) P-C4' energy: -64.713 flat angles C4'-P-C4' energy: -54.554 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -74.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -926.040189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.040189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.040189 (E_RNA) where: Base-Base interactions energy: -636.196 where: short stacking energy: -281.339 Base-Backbone interact. energy: -0.787 local terms energy: -289.057320 where: bonds (distance) C4'-P energy: -53.342 bonds (distance) P-C4' energy: -55.594 flat angles C4'-P-C4' energy: -63.425 flat angles P-C4'-P energy: -37.235 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: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -870.230229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.230229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.230229 (E_RNA) where: Base-Base interactions energy: -600.935 where: short stacking energy: -263.591 Base-Backbone interact. energy: 1.519 local terms energy: -270.814175 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -46.141 flat angles C4'-P-C4' energy: -65.031 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -67.719 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: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -790.454974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.454974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.454974 (E_RNA) where: Base-Base interactions energy: -543.569 where: short stacking energy: -212.449 Base-Backbone interact. energy: 1.596 local terms energy: -248.482357 where: bonds (distance) C4'-P energy: -59.882 bonds (distance) P-C4' energy: -40.355 flat angles C4'-P-C4' energy: -63.500 flat angles P-C4'-P energy: -36.842 tors. eta vs tors. theta energy: -47.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -659.006233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.006233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.006233 (E_RNA) where: Base-Base interactions energy: -428.240 where: short stacking energy: -187.703 Base-Backbone interact. energy: -0.633 local terms energy: -230.133504 where: bonds (distance) C4'-P energy: -50.570 bonds (distance) P-C4' energy: -49.433 flat angles C4'-P-C4' energy: -43.299 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -45.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -510.435834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.435834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.435834 (E_RNA) where: Base-Base interactions energy: -307.396 where: short stacking energy: -148.853 Base-Backbone interact. energy: -0.032 local terms energy: -203.008467 where: bonds (distance) C4'-P energy: -42.233 bonds (distance) P-C4' energy: -56.005 flat angles C4'-P-C4' energy: -52.605 flat angles P-C4'-P energy: -23.285 tors. eta vs tors. theta energy: -28.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -484.268760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.268760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.268760 (E_RNA) where: Base-Base interactions energy: -301.318 where: short stacking energy: -141.348 Base-Backbone interact. energy: -0.088 local terms energy: -182.862242 where: bonds (distance) C4'-P energy: -47.474 bonds (distance) P-C4' energy: -43.523 flat angles C4'-P-C4' energy: -44.666 flat angles P-C4'-P energy: -23.672 tors. eta vs tors. theta energy: -23.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -330.620005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.620005 (E_RNA) where: Base-Base interactions energy: -153.718 where: short stacking energy: -95.818 Base-Backbone interact. energy: -0.186 local terms energy: -176.716706 where: bonds (distance) C4'-P energy: -36.903 bonds (distance) P-C4' energy: -49.692 flat angles C4'-P-C4' energy: -46.581 flat angles P-C4'-P energy: -32.067 tors. eta vs tors. theta energy: -11.474 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: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1000.999506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.999506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.999506 (E_RNA) where: Base-Base interactions energy: -699.035 where: short stacking energy: -283.563 Base-Backbone interact. energy: -0.610 local terms energy: -301.355033 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -963.675196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.675196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.675196 (E_RNA) where: Base-Base interactions energy: -659.460 where: short stacking energy: -272.692 Base-Backbone interact. energy: -2.602 local terms energy: -301.612800 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -74.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -923.045759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.045759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.045759 (E_RNA) where: Base-Base interactions energy: -619.962 where: short stacking energy: -262.641 Base-Backbone interact. energy: -0.733 local terms energy: -302.350407 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -60.533 flat angles C4'-P-C4' energy: -67.833 flat angles P-C4'-P energy: -36.906 tors. eta vs tors. theta energy: -82.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -936.852242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.852242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.852242 (E_RNA) where: Base-Base interactions energy: -659.403 where: short stacking energy: -280.965 Base-Backbone interact. energy: -0.607 local terms energy: -276.841893 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -49.725 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -36.946 tors. eta vs tors. theta energy: -78.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -870.786462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.786462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.786462 (E_RNA) where: Base-Base interactions energy: -585.284 where: short stacking energy: -261.498 Base-Backbone interact. energy: -1.511 local terms energy: -283.991630 where: bonds (distance) C4'-P energy: -53.077 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -71.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -837.012639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.012639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.012639 (E_RNA) where: Base-Base interactions energy: -554.643 where: short stacking energy: -234.316 Base-Backbone interact. energy: 0.510 local terms energy: -282.879694 where: bonds (distance) C4'-P energy: -52.608 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -59.068 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -68.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -658.415668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.415668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.415668 (E_RNA) where: Base-Base interactions energy: -419.864 where: short stacking energy: -202.089 Base-Backbone interact. energy: -1.402 local terms energy: -237.150268 where: bonds (distance) C4'-P energy: -53.732 bonds (distance) P-C4' energy: -39.892 flat angles C4'-P-C4' energy: -52.813 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: -52.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -488.910506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.910506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.910506 (E_RNA) where: Base-Base interactions energy: -288.778 where: short stacking energy: -151.886 Base-Backbone interact. energy: 0.967 local terms energy: -201.099289 where: bonds (distance) C4'-P energy: -47.559 bonds (distance) P-C4' energy: -49.908 flat angles C4'-P-C4' energy: -48.146 flat angles P-C4'-P energy: -30.459 tors. eta vs tors. theta energy: -25.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -478.873336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.873336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.873336 (E_RNA) where: Base-Base interactions energy: -299.182 where: short stacking energy: -124.791 Base-Backbone interact. energy: -1.276 local terms energy: -178.415624 where: bonds (distance) C4'-P energy: -39.427 bonds (distance) P-C4' energy: -51.662 flat angles C4'-P-C4' energy: -49.945 flat angles P-C4'-P energy: -25.518 tors. eta vs tors. theta energy: -11.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -338.642761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.642761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.642761 (E_RNA) where: Base-Base interactions energy: -154.381 where: short stacking energy: -76.849 Base-Backbone interact. energy: 0.972 local terms energy: -185.233101 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -55.768 flat angles C4'-P-C4' energy: -39.885 flat angles P-C4'-P energy: -24.826 tors. eta vs tors. theta energy: -6.737 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: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1014.505794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.505794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.505794 (E_RNA) where: Base-Base interactions energy: -723.992 where: short stacking energy: -288.665 Base-Backbone interact. energy: -1.216 local terms energy: -289.297530 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -55.540 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -82.278 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: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -987.818416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.818416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.818416 (E_RNA) where: Base-Base interactions energy: -681.546 where: short stacking energy: -284.292 Base-Backbone interact. energy: -2.515 local terms energy: -303.757320 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -51.780 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -954.570239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.570239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.570239 (E_RNA) where: Base-Base interactions energy: -665.671 where: short stacking energy: -286.503 Base-Backbone interact. energy: -1.610 local terms energy: -287.289566 where: bonds (distance) C4'-P energy: -47.956 bonds (distance) P-C4' energy: -57.019 flat angles C4'-P-C4' energy: -69.666 flat angles P-C4'-P energy: -32.559 tors. eta vs tors. theta energy: -80.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -912.582807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.582807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.582807 (E_RNA) where: Base-Base interactions energy: -630.942 where: short stacking energy: -264.396 Base-Backbone interact. energy: -1.016 local terms energy: -280.625131 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -47.367 flat angles C4'-P-C4' energy: -60.655 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -79.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -878.865727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.865727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.865727 (E_RNA) where: Base-Base interactions energy: -603.482 where: short stacking energy: -251.939 Base-Backbone interact. energy: 1.696 local terms energy: -277.079731 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -62.061 flat angles P-C4'-P energy: -29.193 tors. eta vs tors. theta energy: -73.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -819.299985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.299985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.299985 (E_RNA) where: Base-Base interactions energy: -565.848 where: short stacking energy: -236.118 Base-Backbone interact. energy: -0.978 local terms energy: -252.473921 where: bonds (distance) C4'-P energy: -55.945 bonds (distance) P-C4' energy: -46.170 flat angles C4'-P-C4' energy: -55.342 flat angles P-C4'-P energy: -38.297 tors. eta vs tors. theta energy: -56.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -677.711484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.711484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.711484 (E_RNA) where: Base-Base interactions energy: -457.084 where: short stacking energy: -198.087 Base-Backbone interact. energy: 0.066 local terms energy: -220.693452 where: bonds (distance) C4'-P energy: -45.903 bonds (distance) P-C4' energy: -44.698 flat angles C4'-P-C4' energy: -55.219 flat angles P-C4'-P energy: -29.839 tors. eta vs tors. theta energy: -45.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -500.322386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.322386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.322386 (E_RNA) where: Base-Base interactions energy: -320.948 where: short stacking energy: -135.722 Base-Backbone interact. energy: -2.065 local terms energy: -177.308733 where: bonds (distance) C4'-P energy: -46.099 bonds (distance) P-C4' energy: -48.571 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -22.951 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: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -500.099181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.099181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.099181 (E_RNA) where: Base-Base interactions energy: -312.010 where: short stacking energy: -135.361 Base-Backbone interact. energy: -1.861 local terms energy: -186.228023 where: bonds (distance) C4'-P energy: -46.290 bonds (distance) P-C4' energy: -50.492 flat angles C4'-P-C4' energy: -42.771 flat angles P-C4'-P energy: -29.767 tors. eta vs tors. theta energy: -16.909 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: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -327.683877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.683877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.683877 (E_RNA) where: Base-Base interactions energy: -171.660 where: short stacking energy: -101.954 Base-Backbone interact. energy: -0.339 local terms energy: -155.685125 where: bonds (distance) C4'-P energy: -48.393 bonds (distance) P-C4' energy: -50.909 flat angles C4'-P-C4' energy: -35.871 flat angles P-C4'-P energy: -23.433 tors. eta vs tors. theta energy: 2.921 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: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1031.402179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.402179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.402179 (E_RNA) where: Base-Base interactions energy: -731.391 where: short stacking energy: -311.873 Base-Backbone interact. energy: -2.404 local terms energy: -297.607829 where: bonds (distance) C4'-P energy: -49.429 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: -80.232 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: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -992.171159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.171159 (E_RNA) where: Base-Base interactions energy: -689.189 where: short stacking energy: -279.636 Base-Backbone interact. energy: -1.690 local terms energy: -301.291853 where: bonds (distance) C4'-P energy: -50.098 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -64.536 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -83.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -985.075789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.075789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.075789 (E_RNA) where: Base-Base interactions energy: -688.607 where: short stacking energy: -296.261 Base-Backbone interact. energy: -1.095 local terms energy: -295.374703 where: bonds (distance) C4'-P energy: -51.476 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -79.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -904.883174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.883174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.883174 (E_RNA) where: Base-Base interactions energy: -619.400 where: short stacking energy: -269.726 Base-Backbone interact. energy: -2.352 local terms energy: -283.130657 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -51.402 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -67.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -855.639636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.639636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.639636 (E_RNA) where: Base-Base interactions energy: -578.648 where: short stacking energy: -263.271 Base-Backbone interact. energy: 0.339 local terms energy: -277.330805 where: bonds (distance) C4'-P energy: -57.330 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -56.241 flat angles P-C4'-P energy: -28.939 tors. eta vs tors. theta energy: -80.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -817.593388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.593388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.593388 (E_RNA) where: Base-Base interactions energy: -550.637 where: short stacking energy: -224.843 Base-Backbone interact. energy: -0.257 local terms energy: -266.699379 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -60.647 flat angles C4'-P-C4' energy: -57.345 flat angles P-C4'-P energy: -28.546 tors. eta vs tors. theta energy: -62.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -650.796595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.796595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.796595 (E_RNA) where: Base-Base interactions energy: -421.593 where: short stacking energy: -205.368 Base-Backbone interact. energy: 0.191 local terms energy: -229.394728 where: bonds (distance) C4'-P energy: -45.724 bonds (distance) P-C4' energy: -58.641 flat angles C4'-P-C4' energy: -46.856 flat angles P-C4'-P energy: -34.121 tors. eta vs tors. theta energy: -44.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -547.336613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.336613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.336613 (E_RNA) where: Base-Base interactions energy: -350.476 where: short stacking energy: -175.420 Base-Backbone interact. energy: -0.271 local terms energy: -196.589720 where: bonds (distance) C4'-P energy: -39.735 bonds (distance) P-C4' energy: -51.950 flat angles C4'-P-C4' energy: -41.550 flat angles P-C4'-P energy: -25.140 tors. eta vs tors. theta energy: -38.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -489.065271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.065271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.065271 (E_RNA) where: Base-Base interactions energy: -287.259 where: short stacking energy: -147.572 Base-Backbone interact. energy: -0.908 local terms energy: -200.898025 where: bonds (distance) C4'-P energy: -37.801 bonds (distance) P-C4' energy: -54.050 flat angles C4'-P-C4' energy: -48.732 flat angles P-C4'-P energy: -23.629 tors. eta vs tors. theta energy: -36.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -305.231643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.231643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.231643 (E_RNA) where: Base-Base interactions energy: -160.285 where: short stacking energy: -92.152 Base-Backbone interact. energy: -0.299 local terms energy: -144.647281 where: bonds (distance) C4'-P energy: -47.748 bonds (distance) P-C4' energy: -50.317 flat angles C4'-P-C4' energy: -43.819 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: 5.804 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: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1024.793149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.793149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.793149 (E_RNA) where: Base-Base interactions energy: -709.883 where: short stacking energy: -298.177 Base-Backbone interact. energy: -1.024 local terms energy: -313.885493 where: bonds (distance) C4'-P energy: -56.080 bonds (distance) P-C4' energy: -63.089 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -46.202 tors. eta vs tors. theta energy: -78.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -984.874549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.874549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.874549 (E_RNA) where: Base-Base interactions energy: -679.513 where: short stacking energy: -291.157 Base-Backbone interact. energy: 0.950 local terms energy: -306.311683 where: bonds (distance) C4'-P energy: -55.897 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -67.369 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -81.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -970.493143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.493143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.493143 (E_RNA) where: Base-Base interactions energy: -673.602 where: short stacking energy: -299.918 Base-Backbone interact. energy: -1.079 local terms energy: -295.812457 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -37.322 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: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -892.338724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.338724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.338724 (E_RNA) where: Base-Base interactions energy: -610.592 where: short stacking energy: -263.399 Base-Backbone interact. energy: 0.396 local terms energy: -282.142474 where: bonds (distance) C4'-P energy: -55.126 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -73.826 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: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -871.859139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.859139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.859139 (E_RNA) where: Base-Base interactions energy: -598.165 where: short stacking energy: -257.272 Base-Backbone interact. energy: -0.205 local terms energy: -273.488557 where: bonds (distance) C4'-P energy: -51.988 bonds (distance) P-C4' energy: -57.409 flat angles C4'-P-C4' energy: -53.965 flat angles P-C4'-P energy: -36.527 tors. eta vs tors. theta energy: -73.600 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: 130 Temperature: 1.150000 Total energy: -804.639510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.639510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.639510 (E_RNA) where: Base-Base interactions energy: -567.961 where: short stacking energy: -236.958 Base-Backbone interact. energy: -1.308 local terms energy: -235.371233 where: bonds (distance) C4'-P energy: -45.160 bonds (distance) P-C4' energy: -54.571 flat angles C4'-P-C4' energy: -44.607 flat angles P-C4'-P energy: -29.371 tors. eta vs tors. theta energy: -61.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -602.443285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.443285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.443285 (E_RNA) where: Base-Base interactions energy: -392.904 where: short stacking energy: -192.783 Base-Backbone interact. energy: -0.334 local terms energy: -209.205005 where: bonds (distance) C4'-P energy: -39.309 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -47.177 flat angles P-C4'-P energy: -28.965 tors. eta vs tors. theta energy: -39.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -618.584076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.584076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.584076 (E_RNA) where: Base-Base interactions energy: -414.814 where: short stacking energy: -186.991 Base-Backbone interact. energy: 0.758 local terms energy: -204.528409 where: bonds (distance) C4'-P energy: -38.149 bonds (distance) P-C4' energy: -41.672 flat angles C4'-P-C4' energy: -51.819 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: -38.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -455.637098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.637098 (E_RNA) where: Base-Base interactions energy: -252.245 where: short stacking energy: -128.620 Base-Backbone interact. energy: 5.343 local terms energy: -208.734695 where: bonds (distance) C4'-P energy: -49.369 bonds (distance) P-C4' energy: -60.130 flat angles C4'-P-C4' energy: -45.444 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: -18.220 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: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -265.036935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.036935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.036935 (E_RNA) where: Base-Base interactions energy: -106.958 where: short stacking energy: -102.739 Base-Backbone interact. energy: 2.786 local terms energy: -160.864655 where: bonds (distance) C4'-P energy: -44.761 bonds (distance) P-C4' energy: -44.504 flat angles C4'-P-C4' energy: -53.861 flat angles P-C4'-P energy: -16.161 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1027.838636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.838636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.838636 (E_RNA) where: Base-Base interactions energy: -728.990 where: short stacking energy: -305.547 Base-Backbone interact. energy: -1.568 local terms energy: -297.280283 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -77.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -991.191299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.191299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.191299 (E_RNA) where: Base-Base interactions energy: -702.000 where: short stacking energy: -282.927 Base-Backbone interact. energy: 0.528 local terms energy: -289.719097 where: bonds (distance) C4'-P energy: -49.899 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -62.354 flat angles P-C4'-P energy: -39.714 tors. eta vs tors. theta energy: -78.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -970.757089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.757089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.757089 (E_RNA) where: Base-Base interactions energy: -650.805 where: short stacking energy: -279.413 Base-Backbone interact. energy: -2.065 local terms energy: -317.886801 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -84.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -899.712889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.712889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.712889 (E_RNA) where: Base-Base interactions energy: -630.634 where: short stacking energy: -250.875 Base-Backbone interact. energy: -0.545 local terms energy: -268.533807 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -45.410 flat angles C4'-P-C4' energy: -54.187 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -67.228 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: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -881.329841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.329841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.329841 (E_RNA) where: Base-Base interactions energy: -617.643 where: short stacking energy: -258.147 Base-Backbone interact. energy: 0.834 local terms energy: -264.520599 where: bonds (distance) C4'-P energy: -51.841 bonds (distance) P-C4' energy: -53.020 flat angles C4'-P-C4' energy: -60.462 flat angles P-C4'-P energy: -31.257 tors. eta vs tors. theta energy: -67.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -814.308724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.308724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.308724 (E_RNA) where: Base-Base interactions energy: -543.538 where: short stacking energy: -248.898 Base-Backbone interact. energy: -1.652 local terms energy: -269.118668 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -55.816 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -29.077 tors. eta vs tors. theta energy: -67.209 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -595.176680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.176680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.176680 (E_RNA) where: Base-Base interactions energy: -380.463 where: short stacking energy: -161.065 Base-Backbone interact. energy: -1.811 local terms energy: -212.902486 where: bonds (distance) C4'-P energy: -50.016 bonds (distance) P-C4' energy: -48.238 flat angles C4'-P-C4' energy: -50.555 flat angles P-C4'-P energy: -33.819 tors. eta vs tors. theta energy: -30.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -610.998057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.998057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.998057 (E_RNA) where: Base-Base interactions energy: -393.109 where: short stacking energy: -177.054 Base-Backbone interact. energy: -1.929 local terms energy: -215.959608 where: bonds (distance) C4'-P energy: -48.293 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -54.717 flat angles P-C4'-P energy: -28.361 tors. eta vs tors. theta energy: -34.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -462.453685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.453685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.453685 (E_RNA) where: Base-Base interactions energy: -266.100 where: short stacking energy: -142.787 Base-Backbone interact. energy: -1.823 local terms energy: -194.530523 where: bonds (distance) C4'-P energy: -46.416 bonds (distance) P-C4' energy: -52.258 flat angles C4'-P-C4' energy: -46.218 flat angles P-C4'-P energy: -32.925 tors. eta vs tors. theta energy: -16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -262.417945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.417945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.417945 (E_RNA) where: Base-Base interactions energy: -86.399 where: short stacking energy: -73.312 Base-Backbone interact. energy: 0.253 local terms energy: -176.271573 where: bonds (distance) C4'-P energy: -41.875 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -55.255 flat angles P-C4'-P energy: -30.948 tors. eta vs tors. theta energy: 6.678 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: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1019.205967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.205967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.205967 (E_RNA) where: Base-Base interactions energy: -714.044 where: short stacking energy: -277.809 Base-Backbone interact. energy: -3.044 local terms energy: -302.117692 where: bonds (distance) C4'-P energy: -57.736 bonds (distance) P-C4' energy: -58.178 flat angles C4'-P-C4' energy: -63.961 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -76.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -986.868371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.868371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.868371 (E_RNA) where: Base-Base interactions energy: -683.892 where: short stacking energy: -278.462 Base-Backbone interact. energy: 1.200 local terms energy: -304.175994 where: bonds (distance) C4'-P energy: -54.535 bonds (distance) P-C4' energy: -60.896 flat angles C4'-P-C4' energy: -59.209 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -81.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -926.107308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.107308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.107308 (E_RNA) where: Base-Base interactions energy: -646.035 where: short stacking energy: -269.485 Base-Backbone interact. energy: -0.393 local terms energy: -279.679337 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -52.544 flat angles C4'-P-C4' energy: -59.785 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -71.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -933.675314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.675314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.675314 (E_RNA) where: Base-Base interactions energy: -637.405 where: short stacking energy: -289.767 Base-Backbone interact. energy: -0.476 local terms energy: -295.793850 where: bonds (distance) C4'-P energy: -51.043 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -62.293 flat angles P-C4'-P energy: -43.419 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -844.761699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.761699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.761699 (E_RNA) where: Base-Base interactions energy: -564.361 where: short stacking energy: -244.725 Base-Backbone interact. energy: -2.780 local terms energy: -277.620541 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -49.560 flat angles C4'-P-C4' energy: -59.890 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: -69.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -836.130889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.130889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.130889 (E_RNA) where: Base-Base interactions energy: -574.444 where: short stacking energy: -227.441 Base-Backbone interact. energy: 0.145 local terms energy: -261.831172 where: bonds (distance) C4'-P energy: -49.982 bonds (distance) P-C4' energy: -55.841 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -44.975 tors. eta vs tors. theta energy: -55.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -595.940124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.940124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.940124 (E_RNA) where: Base-Base interactions energy: -382.470 where: short stacking energy: -163.084 Base-Backbone interact. energy: -1.878 local terms energy: -211.592135 where: bonds (distance) C4'-P energy: -49.952 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -54.163 flat angles P-C4'-P energy: -19.508 tors. eta vs tors. theta energy: -37.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -605.707481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.707481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.707481 (E_RNA) where: Base-Base interactions energy: -391.139 where: short stacking energy: -162.203 Base-Backbone interact. energy: -1.422 local terms energy: -213.146412 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -59.408 flat angles C4'-P-C4' energy: -44.619 flat angles P-C4'-P energy: -32.262 tors. eta vs tors. theta energy: -21.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -469.789926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.789926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.789926 (E_RNA) where: Base-Base interactions energy: -274.878 where: short stacking energy: -126.862 Base-Backbone interact. energy: -0.293 local terms energy: -194.618753 where: bonds (distance) C4'-P energy: -49.964 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -39.572 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -15.808 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: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -257.776682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.776682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.776682 (E_RNA) where: Base-Base interactions energy: -91.418 where: short stacking energy: -86.231 Base-Backbone interact. energy: -2.275 local terms energy: -164.083469 where: bonds (distance) C4'-P energy: -50.484 bonds (distance) P-C4' energy: -42.227 flat angles C4'-P-C4' energy: -42.268 flat angles P-C4'-P energy: -27.014 tors. eta vs tors. theta energy: -2.089 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: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1031.787248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.787248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.787248 (E_RNA) where: Base-Base interactions energy: -730.084 where: short stacking energy: -291.218 Base-Backbone interact. energy: -1.657 local terms energy: -300.046837 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -61.471 flat angles P-C4'-P energy: -42.611 tors. eta vs tors. theta energy: -74.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -969.988421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.988421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.988421 (E_RNA) where: Base-Base interactions energy: -671.807 where: short stacking energy: -287.326 Base-Backbone interact. energy: -0.956 local terms energy: -297.224872 where: bonds (distance) C4'-P energy: -61.664 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -60.221 flat angles P-C4'-P energy: -40.168 tors. eta vs tors. theta energy: -77.127 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: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -919.998815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.998815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.998815 (E_RNA) where: Base-Base interactions energy: -632.622 where: short stacking energy: -262.257 Base-Backbone interact. energy: 0.284 local terms energy: -287.659873 where: bonds (distance) C4'-P energy: -48.932 bonds (distance) P-C4' energy: -58.256 flat angles C4'-P-C4' energy: -59.689 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -82.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -907.397236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.397236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.397236 (E_RNA) where: Base-Base interactions energy: -633.455 where: short stacking energy: -287.826 Base-Backbone interact. energy: -1.222 local terms energy: -272.719666 where: bonds (distance) C4'-P energy: -44.999 bonds (distance) P-C4' energy: -45.708 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -72.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -867.629346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.629346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.629346 (E_RNA) where: Base-Base interactions energy: -600.315 where: short stacking energy: -260.101 Base-Backbone interact. energy: -0.841 local terms energy: -266.472854 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -56.207 flat angles C4'-P-C4' energy: -58.738 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: -65.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -851.698448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.698448 (E_RNA) where: Base-Base interactions energy: -585.390 where: short stacking energy: -237.581 Base-Backbone interact. energy: -2.221 local terms energy: -264.087342 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -47.898 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: -65.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -600.974451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.974451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.974451 (E_RNA) where: Base-Base interactions energy: -377.968 where: short stacking energy: -189.774 Base-Backbone interact. energy: 0.251 local terms energy: -223.256963 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -48.928 flat angles C4'-P-C4' energy: -59.727 flat angles P-C4'-P energy: -28.025 tors. eta vs tors. theta energy: -34.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -603.609606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.609606 (E_RNA) where: Base-Base interactions energy: -394.873 where: short stacking energy: -185.179 Base-Backbone interact. energy: -0.201 local terms energy: -208.535589 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -42.838 flat angles C4'-P-C4' energy: -56.013 flat angles P-C4'-P energy: -26.066 tors. eta vs tors. theta energy: -30.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -488.714953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.714953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.714953 (E_RNA) where: Base-Base interactions energy: -297.370 where: short stacking energy: -173.105 Base-Backbone interact. energy: 0.489 local terms energy: -191.834124 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -38.486 flat angles C4'-P-C4' energy: -49.252 flat angles P-C4'-P energy: -17.989 tors. eta vs tors. theta energy: -34.611 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: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -272.095199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.095199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.095199 (E_RNA) where: Base-Base interactions energy: -110.876 where: short stacking energy: -103.884 Base-Backbone interact. energy: -1.431 local terms energy: -159.788299 where: bonds (distance) C4'-P energy: -32.222 bonds (distance) P-C4' energy: -49.297 flat angles C4'-P-C4' energy: -41.860 flat angles P-C4'-P energy: -31.746 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1034.589652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.589652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.589652 (E_RNA) where: Base-Base interactions energy: -729.825 where: short stacking energy: -281.450 Base-Backbone interact. energy: -1.314 local terms energy: -303.450289 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -71.444 flat angles P-C4'-P energy: -40.998 tors. eta vs tors. theta energy: -70.887 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -976.006591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.006591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.006591 (E_RNA) where: Base-Base interactions energy: -670.559 where: short stacking energy: -252.884 Base-Backbone interact. energy: -1.089 local terms energy: -304.359046 where: bonds (distance) C4'-P energy: -52.070 bonds (distance) P-C4' energy: -71.073 flat angles C4'-P-C4' energy: -64.149 flat angles P-C4'-P energy: -40.690 tors. eta vs tors. theta energy: -76.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -910.453348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.453348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.453348 (E_RNA) where: Base-Base interactions energy: -622.377 where: short stacking energy: -261.130 Base-Backbone interact. energy: -1.665 local terms energy: -286.411923 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -65.277 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -73.318 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -922.392579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.392579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.392579 (E_RNA) where: Base-Base interactions energy: -627.923 where: short stacking energy: -280.402 Base-Backbone interact. energy: -0.219 local terms energy: -294.250385 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -49.818 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -75.449 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: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -866.037151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.037151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.037151 (E_RNA) where: Base-Base interactions energy: -585.746 where: short stacking energy: -256.334 Base-Backbone interact. energy: -1.312 local terms energy: -278.979089 where: bonds (distance) C4'-P energy: -54.793 bonds (distance) P-C4' energy: -57.690 flat angles C4'-P-C4' energy: -58.137 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -69.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -832.303320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.303320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.303320 (E_RNA) where: Base-Base interactions energy: -585.088 where: short stacking energy: -232.517 Base-Backbone interact. energy: -1.529 local terms energy: -245.686197 where: bonds (distance) C4'-P energy: -52.326 bonds (distance) P-C4' energy: -44.151 flat angles C4'-P-C4' energy: -49.564 flat angles P-C4'-P energy: -39.008 tors. eta vs tors. theta energy: -60.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -613.709300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.709300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.709300 (E_RNA) where: Base-Base interactions energy: -384.732 where: short stacking energy: -173.754 Base-Backbone interact. energy: -2.112 local terms energy: -226.865269 where: bonds (distance) C4'-P energy: -45.544 bonds (distance) P-C4' energy: -56.976 flat angles C4'-P-C4' energy: -48.998 flat angles P-C4'-P energy: -32.972 tors. eta vs tors. theta energy: -42.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -544.388223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.388223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.388223 (E_RNA) where: Base-Base interactions energy: -344.153 where: short stacking energy: -163.111 Base-Backbone interact. energy: -0.757 local terms energy: -199.478894 where: bonds (distance) C4'-P energy: -42.800 bonds (distance) P-C4' energy: -49.419 flat angles C4'-P-C4' energy: -50.445 flat angles P-C4'-P energy: -25.791 tors. eta vs tors. theta energy: -31.024 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: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -475.211233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.211233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.211233 (E_RNA) where: Base-Base interactions energy: -291.175 where: short stacking energy: -153.949 Base-Backbone interact. energy: -0.369 local terms energy: -183.666907 where: bonds (distance) C4'-P energy: -38.778 bonds (distance) P-C4' energy: -48.326 flat angles C4'-P-C4' energy: -51.502 flat angles P-C4'-P energy: -14.969 tors. eta vs tors. theta energy: -30.092 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: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -247.393957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.393957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.393957 (E_RNA) where: Base-Base interactions energy: -85.453 where: short stacking energy: -67.496 Base-Backbone interact. energy: -0.717 local terms energy: -161.224021 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -40.046 flat angles P-C4'-P energy: -25.645 tors. eta vs tors. theta energy: 15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -997.530318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.530318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.530318 (E_RNA) where: Base-Base interactions energy: -703.836 where: short stacking energy: -280.406 Base-Backbone interact. energy: -0.981 local terms energy: -292.712826 where: bonds (distance) C4'-P energy: -49.728 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -63.979 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: -77.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -974.876925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.876925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.876925 (E_RNA) where: Base-Base interactions energy: -688.789 where: short stacking energy: -265.616 Base-Backbone interact. energy: 0.875 local terms energy: -286.962376 where: bonds (distance) C4'-P energy: -50.506 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -58.472 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -76.238 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: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -904.232117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.232117 (E_RNA) where: Base-Base interactions energy: -624.818 where: short stacking energy: -257.138 Base-Backbone interact. energy: -0.778 local terms energy: -278.636184 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -63.347 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -36.903 tors. eta vs tors. theta energy: -67.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -905.237468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.237468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.237468 (E_RNA) where: Base-Base interactions energy: -635.487 where: short stacking energy: -282.952 Base-Backbone interact. energy: -0.555 local terms energy: -269.195735 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -51.754 flat angles C4'-P-C4' energy: -64.865 flat angles P-C4'-P energy: -29.954 tors. eta vs tors. theta energy: -69.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -835.865965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.865965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.865965 (E_RNA) where: Base-Base interactions energy: -575.860 where: short stacking energy: -253.055 Base-Backbone interact. energy: -2.512 local terms energy: -257.494211 where: bonds (distance) C4'-P energy: -54.791 bonds (distance) P-C4' energy: -47.110 flat angles C4'-P-C4' energy: -58.999 flat angles P-C4'-P energy: -29.947 tors. eta vs tors. theta energy: -66.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -832.401051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.401051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.401051 (E_RNA) where: Base-Base interactions energy: -584.401 where: short stacking energy: -248.917 Base-Backbone interact. energy: -1.682 local terms energy: -246.317578 where: bonds (distance) C4'-P energy: -47.604 bonds (distance) P-C4' energy: -46.212 flat angles C4'-P-C4' energy: -52.888 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -65.785 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: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -603.062791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.062791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.062791 (E_RNA) where: Base-Base interactions energy: -365.472 where: short stacking energy: -182.193 Base-Backbone interact. energy: 0.948 local terms energy: -238.539073 where: bonds (distance) C4'-P energy: -53.024 bonds (distance) P-C4' energy: -48.778 flat angles C4'-P-C4' energy: -48.688 flat angles P-C4'-P energy: -34.957 tors. eta vs tors. theta energy: -53.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -579.720030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.720030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.720030 (E_RNA) where: Base-Base interactions energy: -386.228 where: short stacking energy: -167.648 Base-Backbone interact. energy: -1.445 local terms energy: -192.047018 where: bonds (distance) C4'-P energy: -47.725 bonds (distance) P-C4' energy: -41.880 flat angles C4'-P-C4' energy: -40.538 flat angles P-C4'-P energy: -31.121 tors. eta vs tors. theta energy: -30.783 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: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -477.079072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.079072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.079072 (E_RNA) where: Base-Base interactions energy: -281.560 where: short stacking energy: -134.380 Base-Backbone interact. energy: -2.006 local terms energy: -193.512322 where: bonds (distance) C4'-P energy: -48.228 bonds (distance) P-C4' energy: -48.148 flat angles C4'-P-C4' energy: -47.103 flat angles P-C4'-P energy: -29.697 tors. eta vs tors. theta energy: -20.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -246.183799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.183799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.183799 (E_RNA) where: Base-Base interactions energy: -97.839 where: short stacking energy: -58.929 Base-Backbone interact. energy: -2.530 local terms energy: -145.815171 where: bonds (distance) C4'-P energy: -52.527 bonds (distance) P-C4' energy: -39.241 flat angles C4'-P-C4' energy: -34.733 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: 14.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -993.441375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.441375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.441375 (E_RNA) where: Base-Base interactions energy: -694.487 where: short stacking energy: -288.155 Base-Backbone interact. energy: -0.124 local terms energy: -298.830507 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -55.965 flat angles C4'-P-C4' energy: -72.269 flat angles P-C4'-P energy: -45.373 tors. eta vs tors. theta energy: -72.072 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: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -984.834383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.834383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.834383 (E_RNA) where: Base-Base interactions energy: -689.036 where: short stacking energy: -283.135 Base-Backbone interact. energy: -1.265 local terms energy: -294.533325 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -61.730 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -76.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -942.484031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.484031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.484031 (E_RNA) where: Base-Base interactions energy: -649.676 where: short stacking energy: -275.205 Base-Backbone interact. energy: 0.402 local terms energy: -293.209885 where: bonds (distance) C4'-P energy: -54.732 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -72.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -879.258163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.258163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.258163 (E_RNA) where: Base-Base interactions energy: -605.473 where: short stacking energy: -254.969 Base-Backbone interact. energy: -0.556 local terms energy: -273.228710 where: bonds (distance) C4'-P energy: -51.307 bonds (distance) P-C4' energy: -53.335 flat angles C4'-P-C4' energy: -60.968 flat angles P-C4'-P energy: -39.639 tors. eta vs tors. theta energy: -67.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -867.979891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.979891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.979891 (E_RNA) where: Base-Base interactions energy: -606.426 where: short stacking energy: -251.063 Base-Backbone interact. energy: -0.621 local terms energy: -260.932600 where: bonds (distance) C4'-P energy: -54.361 bonds (distance) P-C4' energy: -47.788 flat angles C4'-P-C4' energy: -55.711 flat angles P-C4'-P energy: -40.389 tors. eta vs tors. theta energy: -62.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -782.044545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.044545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.044545 (E_RNA) where: Base-Base interactions energy: -529.446 where: short stacking energy: -244.542 Base-Backbone interact. energy: -0.136 local terms energy: -252.462746 where: bonds (distance) C4'-P energy: -43.993 bonds (distance) P-C4' energy: -53.965 flat angles C4'-P-C4' energy: -58.082 flat angles P-C4'-P energy: -36.880 tors. eta vs tors. theta energy: -59.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -601.190280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.190280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.190280 (E_RNA) where: Base-Base interactions energy: -415.352 where: short stacking energy: -178.116 Base-Backbone interact. energy: -0.131 local terms energy: -185.707285 where: bonds (distance) C4'-P energy: -40.739 bonds (distance) P-C4' energy: -41.248 flat angles C4'-P-C4' energy: -45.395 flat angles P-C4'-P energy: -21.032 tors. eta vs tors. theta energy: -37.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -530.042506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.042506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.042506 (E_RNA) where: Base-Base interactions energy: -326.655 where: short stacking energy: -156.487 Base-Backbone interact. energy: 0.582 local terms energy: -203.969823 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -50.513 flat angles C4'-P-C4' energy: -47.304 flat angles P-C4'-P energy: -31.169 tors. eta vs tors. theta energy: -22.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -492.156968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.156968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.156968 (E_RNA) where: Base-Base interactions energy: -309.849 where: short stacking energy: -147.656 Base-Backbone interact. energy: 0.458 local terms energy: -182.765920 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -41.741 flat angles C4'-P-C4' energy: -41.186 flat angles P-C4'-P energy: -29.199 tors. eta vs tors. theta energy: -21.054 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: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -309.820950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.820950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.820950 (E_RNA) where: Base-Base interactions energy: -130.429 where: short stacking energy: -91.605 Base-Backbone interact. energy: -3.665 local terms energy: -175.726571 where: bonds (distance) C4'-P energy: -47.709 bonds (distance) P-C4' energy: -55.470 flat angles C4'-P-C4' energy: -49.967 flat angles P-C4'-P energy: -23.812 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1005.522646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.522646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.522646 (E_RNA) where: Base-Base interactions energy: -701.938 where: short stacking energy: -290.669 Base-Backbone interact. energy: -0.605 local terms energy: -302.979988 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -57.086 flat angles C4'-P-C4' energy: -62.563 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -77.706 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: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -987.694536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.694536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.694536 (E_RNA) where: Base-Base interactions energy: -702.307 where: short stacking energy: -282.848 Base-Backbone interact. energy: -0.506 local terms energy: -284.881458 where: bonds (distance) C4'-P energy: -54.812 bonds (distance) P-C4' energy: -54.857 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -41.579 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: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -946.433353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.433353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.433353 (E_RNA) where: Base-Base interactions energy: -655.890 where: short stacking energy: -259.853 Base-Backbone interact. energy: 0.573 local terms energy: -291.116224 where: bonds (distance) C4'-P energy: -53.036 bonds (distance) P-C4' energy: -58.384 flat angles C4'-P-C4' energy: -62.629 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -75.100 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: 9 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -886.809169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.809169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.809169 (E_RNA) where: Base-Base interactions energy: -611.245 where: short stacking energy: -252.241 Base-Backbone interact. energy: -1.009 local terms energy: -274.555068 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -55.649 flat angles C4'-P-C4' energy: -58.688 flat angles P-C4'-P energy: -32.609 tors. eta vs tors. theta energy: -68.216 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: 137 Temperature: 1.100000 Total energy: -871.746253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.746253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.746253 (E_RNA) where: Base-Base interactions energy: -612.580 where: short stacking energy: -242.965 Base-Backbone interact. energy: 0.835 local terms energy: -260.001563 where: bonds (distance) C4'-P energy: -50.526 bonds (distance) P-C4' energy: -53.926 flat angles C4'-P-C4' energy: -57.484 flat angles P-C4'-P energy: -33.007 tors. eta vs tors. theta energy: -65.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -829.777962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.777962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.777962 (E_RNA) where: Base-Base interactions energy: -583.687 where: short stacking energy: -237.044 Base-Backbone interact. energy: -1.519 local terms energy: -244.571497 where: bonds (distance) C4'-P energy: -40.610 bonds (distance) P-C4' energy: -46.636 flat angles C4'-P-C4' energy: -50.918 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -60.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -615.082028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.082028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.082028 (E_RNA) where: Base-Base interactions energy: -386.735 where: short stacking energy: -178.614 Base-Backbone interact. energy: 2.703 local terms energy: -231.049959 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -63.160 flat angles C4'-P-C4' energy: -37.178 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -38.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -500.489150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.489150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.489150 (E_RNA) where: Base-Base interactions energy: -291.826 where: short stacking energy: -144.996 Base-Backbone interact. energy: -2.405 local terms energy: -206.258601 where: bonds (distance) C4'-P energy: -50.859 bonds (distance) P-C4' energy: -48.747 flat angles C4'-P-C4' energy: -51.981 flat angles P-C4'-P energy: -30.563 tors. eta vs tors. theta energy: -24.109 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: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -502.776961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.776961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.776961 (E_RNA) where: Base-Base interactions energy: -293.496 where: short stacking energy: -145.220 Base-Backbone interact. energy: -0.814 local terms energy: -208.467481 where: bonds (distance) C4'-P energy: -46.961 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -51.329 flat angles P-C4'-P energy: -29.376 tors. eta vs tors. theta energy: -26.317 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: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -323.564512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.564512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.564512 (E_RNA) where: Base-Base interactions energy: -157.540 where: short stacking energy: -95.297 Base-Backbone interact. energy: -1.185 local terms energy: -164.838982 where: bonds (distance) C4'-P energy: -43.910 bonds (distance) P-C4' energy: -52.307 flat angles C4'-P-C4' energy: -41.009 flat angles P-C4'-P energy: -27.067 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1022.418384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.418384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.418384 (E_RNA) where: Base-Base interactions energy: -719.276 where: short stacking energy: -291.437 Base-Backbone interact. energy: -2.351 local terms energy: -300.790970 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -48.256 flat angles C4'-P-C4' energy: -65.274 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -80.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1004.289317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.289317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.289317 (E_RNA) where: Base-Base interactions energy: -717.187 where: short stacking energy: -283.049 Base-Backbone interact. energy: -3.722 local terms energy: -283.380114 where: bonds (distance) C4'-P energy: -51.315 bonds (distance) P-C4' energy: -52.750 flat angles C4'-P-C4' energy: -67.182 flat angles P-C4'-P energy: -36.539 tors. eta vs tors. theta energy: -75.595 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: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -925.832276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.832276 (E_RNA) where: Base-Base interactions energy: -627.720 where: short stacking energy: -268.203 Base-Backbone interact. energy: -1.966 local terms energy: -296.145783 where: bonds (distance) C4'-P energy: -50.510 bonds (distance) P-C4' energy: -56.985 flat angles C4'-P-C4' energy: -64.213 flat angles P-C4'-P energy: -42.191 tors. eta vs tors. theta energy: -82.248 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: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -882.249375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.249375 (E_RNA) where: Base-Base interactions energy: -630.825 where: short stacking energy: -261.843 Base-Backbone interact. energy: -0.650 local terms energy: -250.773631 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -37.113 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -31.174 tors. eta vs tors. theta energy: -69.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -864.596087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.596087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.596087 (E_RNA) where: Base-Base interactions energy: -594.448 where: short stacking energy: -249.908 Base-Backbone interact. energy: -1.232 local terms energy: -268.916804 where: bonds (distance) C4'-P energy: -54.997 bonds (distance) P-C4' energy: -54.714 flat angles C4'-P-C4' energy: -60.505 flat angles P-C4'-P energy: -35.243 tors. eta vs tors. theta energy: -63.458 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: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -804.531668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.531668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.531668 (E_RNA) where: Base-Base interactions energy: -547.535 where: short stacking energy: -246.647 Base-Backbone interact. energy: -1.647 local terms energy: -255.349770 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -45.314 flat angles C4'-P-C4' energy: -58.515 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -64.397 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: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -587.093555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.093555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.093555 (E_RNA) where: Base-Base interactions energy: -381.238 where: short stacking energy: -173.114 Base-Backbone interact. energy: -1.606 local terms energy: -204.249829 where: bonds (distance) C4'-P energy: -34.424 bonds (distance) P-C4' energy: -49.520 flat angles C4'-P-C4' energy: -45.798 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -31.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -489.715016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.715016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.715016 (E_RNA) where: Base-Base interactions energy: -274.100 where: short stacking energy: -151.304 Base-Backbone interact. energy: -0.857 local terms energy: -214.757303 where: bonds (distance) C4'-P energy: -56.177 bonds (distance) P-C4' energy: -43.136 flat angles C4'-P-C4' energy: -45.946 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -33.272 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: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -520.018718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.018718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.018718 (E_RNA) where: Base-Base interactions energy: -323.102 where: short stacking energy: -146.132 Base-Backbone interact. energy: -1.292 local terms energy: -195.624207 where: bonds (distance) C4'-P energy: -46.797 bonds (distance) P-C4' energy: -44.533 flat angles C4'-P-C4' energy: -58.750 flat angles P-C4'-P energy: -28.773 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -318.971897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.971897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.971897 (E_RNA) where: Base-Base interactions energy: -150.601 where: short stacking energy: -76.576 Base-Backbone interact. energy: -1.222 local terms energy: -167.148613 where: bonds (distance) C4'-P energy: -45.279 bonds (distance) P-C4' energy: -54.354 flat angles C4'-P-C4' energy: -52.960 flat angles P-C4'-P energy: -13.201 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -997.910956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.910956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.910956 (E_RNA) where: Base-Base interactions energy: -694.912 where: short stacking energy: -279.121 Base-Backbone interact. energy: -1.895 local terms energy: -301.104430 where: bonds (distance) C4'-P energy: -57.384 bonds (distance) P-C4' energy: -52.281 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -41.436 tors. eta vs tors. theta energy: -79.973 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: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1018.620334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.620334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.620334 (E_RNA) where: Base-Base interactions energy: -701.259 where: short stacking energy: -297.889 Base-Backbone interact. energy: -0.907 local terms energy: -316.454419 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -63.379 flat angles P-C4'-P energy: -41.581 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: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -939.709431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.709431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.709431 (E_RNA) where: Base-Base interactions energy: -651.663 where: short stacking energy: -271.238 Base-Backbone interact. energy: 1.538 local terms energy: -289.583930 where: bonds (distance) C4'-P energy: -52.827 bonds (distance) P-C4' energy: -62.434 flat angles C4'-P-C4' energy: -60.342 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -72.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -894.792858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.792858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.792858 (E_RNA) where: Base-Base interactions energy: -617.609 where: short stacking energy: -267.729 Base-Backbone interact. energy: -1.561 local terms energy: -275.622746 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -50.844 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -34.921 tors. eta vs tors. theta energy: -78.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -817.051416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.051416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.051416 (E_RNA) where: Base-Base interactions energy: -573.615 where: short stacking energy: -213.931 Base-Backbone interact. energy: -1.195 local terms energy: -242.241049 where: bonds (distance) C4'-P energy: -49.539 bonds (distance) P-C4' energy: -41.844 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -30.697 tors. eta vs tors. theta energy: -57.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -812.353768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.353768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.353768 (E_RNA) where: Base-Base interactions energy: -555.079 where: short stacking energy: -247.040 Base-Backbone interact. energy: -0.958 local terms energy: -256.316629 where: bonds (distance) C4'-P energy: -50.949 bonds (distance) P-C4' energy: -53.011 flat angles C4'-P-C4' energy: -55.331 flat angles P-C4'-P energy: -34.213 tors. eta vs tors. theta energy: -62.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -592.093494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.093494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.093494 (E_RNA) where: Base-Base interactions energy: -373.516 where: short stacking energy: -176.008 Base-Backbone interact. energy: 1.987 local terms energy: -220.564905 where: bonds (distance) C4'-P energy: -46.447 bonds (distance) P-C4' energy: -51.731 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -30.763 tors. eta vs tors. theta energy: -39.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -546.086588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.086588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.086588 (E_RNA) where: Base-Base interactions energy: -355.223 where: short stacking energy: -168.616 Base-Backbone interact. energy: -1.391 local terms energy: -189.472503 where: bonds (distance) C4'-P energy: -37.597 bonds (distance) P-C4' energy: -54.620 flat angles C4'-P-C4' energy: -45.490 flat angles P-C4'-P energy: -27.404 tors. eta vs tors. theta energy: -24.363 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: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -477.020352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.020352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.020352 (E_RNA) where: Base-Base interactions energy: -275.153 where: short stacking energy: -150.700 Base-Backbone interact. energy: 0.641 local terms energy: -202.508905 where: bonds (distance) C4'-P energy: -44.941 bonds (distance) P-C4' energy: -56.034 flat angles C4'-P-C4' energy: -47.005 flat angles P-C4'-P energy: -30.821 tors. eta vs tors. theta energy: -23.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -302.447408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.447408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.447408 (E_RNA) where: Base-Base interactions energy: -124.738 where: short stacking energy: -78.090 Base-Backbone interact. energy: -1.045 local terms energy: -176.664740 where: bonds (distance) C4'-P energy: -44.919 bonds (distance) P-C4' energy: -54.826 flat angles C4'-P-C4' energy: -50.139 flat angles P-C4'-P energy: -32.377 tors. eta vs tors. theta energy: 5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1023.146804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.146804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.146804 (E_RNA) where: Base-Base interactions energy: -713.956 where: short stacking energy: -295.084 Base-Backbone interact. energy: -0.417 local terms energy: -308.773555 where: bonds (distance) C4'-P energy: -62.159 bonds (distance) P-C4' energy: -57.794 flat angles C4'-P-C4' energy: -61.575 flat angles P-C4'-P energy: -42.635 tors. eta vs tors. theta energy: -84.611 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: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -992.450744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.450744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.450744 (E_RNA) where: Base-Base interactions energy: -688.704 where: short stacking energy: -286.238 Base-Backbone interact. energy: 3.306 local terms energy: -307.052080 where: bonds (distance) C4'-P energy: -56.893 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -65.444 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -84.764 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: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -953.887514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.887514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.887514 (E_RNA) where: Base-Base interactions energy: -647.518 where: short stacking energy: -304.489 Base-Backbone interact. energy: -0.308 local terms energy: -306.061469 where: bonds (distance) C4'-P energy: -51.717 bonds (distance) P-C4' energy: -54.552 flat angles C4'-P-C4' energy: -68.797 flat angles P-C4'-P energy: -46.203 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: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -885.583554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.583554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.583554 (E_RNA) where: Base-Base interactions energy: -612.130 where: short stacking energy: -256.272 Base-Backbone interact. energy: -1.903 local terms energy: -271.550930 where: bonds (distance) C4'-P energy: -47.102 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -57.284 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: -69.715 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: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -843.797341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.797341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.797341 (E_RNA) where: Base-Base interactions energy: -569.929 where: short stacking energy: -245.391 Base-Backbone interact. energy: 0.162 local terms energy: -274.030241 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -57.460 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -64.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -767.461512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.461512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.461512 (E_RNA) where: Base-Base interactions energy: -524.255 where: short stacking energy: -228.205 Base-Backbone interact. energy: 0.719 local terms energy: -243.925113 where: bonds (distance) C4'-P energy: -50.506 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -50.887 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: -51.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -605.001222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.001222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.001222 (E_RNA) where: Base-Base interactions energy: -378.870 where: short stacking energy: -174.680 Base-Backbone interact. energy: -1.670 local terms energy: -224.461609 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -49.778 flat angles C4'-P-C4' energy: -54.142 flat angles P-C4'-P energy: -31.698 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: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -532.185475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.185475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.185475 (E_RNA) where: Base-Base interactions energy: -340.752 where: short stacking energy: -168.030 Base-Backbone interact. energy: -0.645 local terms energy: -190.789164 where: bonds (distance) C4'-P energy: -47.072 bonds (distance) P-C4' energy: -50.156 flat angles C4'-P-C4' energy: -36.637 flat angles P-C4'-P energy: -26.317 tors. eta vs tors. theta energy: -30.607 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: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -460.723102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.723102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.723102 (E_RNA) where: Base-Base interactions energy: -253.035 where: short stacking energy: -126.996 Base-Backbone interact. energy: -0.362 local terms energy: -207.326060 where: bonds (distance) C4'-P energy: -58.128 bonds (distance) P-C4' energy: -52.979 flat angles C4'-P-C4' energy: -45.735 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -18.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -303.242122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.242122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.242122 (E_RNA) where: Base-Base interactions energy: -159.286 where: short stacking energy: -90.650 Base-Backbone interact. energy: -0.974 local terms energy: -142.981628 where: bonds (distance) C4'-P energy: -37.090 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -38.425 flat angles P-C4'-P energy: -16.898 tors. eta vs tors. theta energy: 4.775 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: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1024.799160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.799160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.799160 (E_RNA) where: Base-Base interactions energy: -722.069 where: short stacking energy: -297.028 Base-Backbone interact. energy: 0.438 local terms energy: -303.167954 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -62.910 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: -83.650 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: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -994.394313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.394313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.394313 (E_RNA) where: Base-Base interactions energy: -693.130 where: short stacking energy: -284.860 Base-Backbone interact. energy: 1.400 local terms energy: -302.664347 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -58.810 flat angles C4'-P-C4' energy: -64.588 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -81.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -929.609566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.609566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.609566 (E_RNA) where: Base-Base interactions energy: -633.732 where: short stacking energy: -299.186 Base-Backbone interact. energy: 1.607 local terms energy: -297.483995 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -53.991 flat angles C4'-P-C4' energy: -59.262 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -82.611 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: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -913.331066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.331066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.331066 (E_RNA) where: Base-Base interactions energy: -626.709 where: short stacking energy: -273.066 Base-Backbone interact. energy: 0.049 local terms energy: -286.670452 where: bonds (distance) C4'-P energy: -56.342 bonds (distance) P-C4' energy: -53.414 flat angles C4'-P-C4' energy: -67.033 flat angles P-C4'-P energy: -33.435 tors. eta vs tors. theta energy: -76.446 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: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -830.725455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.725455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.725455 (E_RNA) where: Base-Base interactions energy: -575.585 where: short stacking energy: -245.546 Base-Backbone interact. energy: -1.487 local terms energy: -253.652609 where: bonds (distance) C4'-P energy: -43.340 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -59.722 flat angles P-C4'-P energy: -31.744 tors. eta vs tors. theta energy: -62.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -779.135006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.135006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.135006 (E_RNA) where: Base-Base interactions energy: -521.790 where: short stacking energy: -226.115 Base-Backbone interact. energy: -1.541 local terms energy: -255.804274 where: bonds (distance) C4'-P energy: -51.991 bonds (distance) P-C4' energy: -55.020 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -30.859 tors. eta vs tors. theta energy: -55.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -587.845727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.845727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.845727 (E_RNA) where: Base-Base interactions energy: -393.409 where: short stacking energy: -177.378 Base-Backbone interact. energy: 1.296 local terms energy: -195.732130 where: bonds (distance) C4'-P energy: -40.641 bonds (distance) P-C4' energy: -48.893 flat angles C4'-P-C4' energy: -57.874 flat angles P-C4'-P energy: -27.395 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -484.650997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.650997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.650997 (E_RNA) where: Base-Base interactions energy: -306.187 where: short stacking energy: -153.299 Base-Backbone interact. energy: -1.049 local terms energy: -177.415090 where: bonds (distance) C4'-P energy: -49.096 bonds (distance) P-C4' energy: -36.492 flat angles C4'-P-C4' energy: -41.264 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -484.906507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.906507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.906507 (E_RNA) where: Base-Base interactions energy: -293.533 where: short stacking energy: -157.371 Base-Backbone interact. energy: 4.082 local terms energy: -195.455864 where: bonds (distance) C4'-P energy: -39.092 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -44.704 flat angles P-C4'-P energy: -31.274 tors. eta vs tors. theta energy: -26.358 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: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -315.999473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.999473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.999473 (E_RNA) where: Base-Base interactions energy: -151.466 where: short stacking energy: -90.254 Base-Backbone interact. energy: 1.245 local terms energy: -165.778425 where: bonds (distance) C4'-P energy: -46.979 bonds (distance) P-C4' energy: -52.634 flat angles C4'-P-C4' energy: -41.395 flat angles P-C4'-P energy: -21.155 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1016.238238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.238238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.238238 (E_RNA) where: Base-Base interactions energy: -714.635 where: short stacking energy: -289.276 Base-Backbone interact. energy: -1.374 local terms energy: -300.228946 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -32.358 tors. eta vs tors. theta energy: -78.132 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: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -997.208239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.208239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.208239 (E_RNA) where: Base-Base interactions energy: -699.669 where: short stacking energy: -292.673 Base-Backbone interact. energy: -1.907 local terms energy: -295.632030 where: bonds (distance) C4'-P energy: -51.661 bonds (distance) P-C4' energy: -59.808 flat angles C4'-P-C4' energy: -62.316 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -76.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -908.728338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.728338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.728338 (E_RNA) where: Base-Base interactions energy: -636.362 where: short stacking energy: -261.661 Base-Backbone interact. energy: -1.817 local terms energy: -270.549240 where: bonds (distance) C4'-P energy: -51.820 bonds (distance) P-C4' energy: -58.876 flat angles C4'-P-C4' energy: -57.763 flat angles P-C4'-P energy: -27.342 tors. eta vs tors. theta energy: -74.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -891.094882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.094882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.094882 (E_RNA) where: Base-Base interactions energy: -624.533 where: short stacking energy: -259.331 Base-Backbone interact. energy: -1.088 local terms energy: -265.474260 where: bonds (distance) C4'-P energy: -43.357 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -34.547 tors. eta vs tors. theta energy: -76.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -846.199237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.199237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.199237 (E_RNA) where: Base-Base interactions energy: -608.036 where: short stacking energy: -246.945 Base-Backbone interact. energy: -1.436 local terms energy: -236.727367 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -44.577 flat angles C4'-P-C4' energy: -49.798 flat angles P-C4'-P energy: -20.372 tors. eta vs tors. theta energy: -66.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -745.938288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.938288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.938288 (E_RNA) where: Base-Base interactions energy: -515.660 where: short stacking energy: -214.427 Base-Backbone interact. energy: -0.470 local terms energy: -229.807879 where: bonds (distance) C4'-P energy: -50.097 bonds (distance) P-C4' energy: -49.045 flat angles C4'-P-C4' energy: -48.809 flat angles P-C4'-P energy: -36.004 tors. eta vs tors. theta energy: -45.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -610.348909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.348909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.348909 (E_RNA) where: Base-Base interactions energy: -398.636 where: short stacking energy: -181.391 Base-Backbone interact. energy: -0.652 local terms energy: -211.060704 where: bonds (distance) C4'-P energy: -45.752 bonds (distance) P-C4' energy: -50.563 flat angles C4'-P-C4' energy: -51.510 flat angles P-C4'-P energy: -28.986 tors. eta vs tors. theta energy: -34.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -491.293132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.293132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.293132 (E_RNA) where: Base-Base interactions energy: -293.525 where: short stacking energy: -151.502 Base-Backbone interact. energy: -1.367 local terms energy: -196.401680 where: bonds (distance) C4'-P energy: -49.673 bonds (distance) P-C4' energy: -43.048 flat angles C4'-P-C4' energy: -47.912 flat angles P-C4'-P energy: -25.393 tors. eta vs tors. theta energy: -30.376 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: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -473.830764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.830764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.830764 (E_RNA) where: Base-Base interactions energy: -256.514 where: short stacking energy: -123.051 Base-Backbone interact. energy: -0.748 local terms energy: -216.568896 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -53.671 flat angles C4'-P-C4' energy: -47.623 flat angles P-C4'-P energy: -30.457 tors. eta vs tors. theta energy: -27.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -324.976143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.976143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.976143 (E_RNA) where: Base-Base interactions energy: -139.718 where: short stacking energy: -95.459 Base-Backbone interact. energy: 2.302 local terms energy: -187.559797 where: bonds (distance) C4'-P energy: -50.699 bonds (distance) P-C4' energy: -55.362 flat angles C4'-P-C4' energy: -40.030 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -2.466 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: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1008.411022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.411022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.411022 (E_RNA) where: Base-Base interactions energy: -715.517 where: short stacking energy: -293.850 Base-Backbone interact. energy: 0.190 local terms energy: -293.084801 where: bonds (distance) C4'-P energy: -50.567 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -61.020 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -77.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -965.514544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.514544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.514544 (E_RNA) where: Base-Base interactions energy: -689.091 where: short stacking energy: -277.383 Base-Backbone interact. energy: 2.670 local terms energy: -279.093775 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -44.366 flat angles C4'-P-C4' energy: -60.413 flat angles P-C4'-P energy: -34.505 tors. eta vs tors. theta energy: -83.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -917.300710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.300710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.300710 (E_RNA) where: Base-Base interactions energy: -646.900 where: short stacking energy: -266.746 Base-Backbone interact. energy: 7.997 local terms energy: -278.398373 where: bonds (distance) C4'-P energy: -52.361 bonds (distance) P-C4' energy: -61.123 flat angles C4'-P-C4' energy: -62.567 flat angles P-C4'-P energy: -32.514 tors. eta vs tors. theta energy: -69.832 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: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -841.843425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.843425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.843425 (E_RNA) where: Base-Base interactions energy: -588.039 where: short stacking energy: -234.851 Base-Backbone interact. energy: 0.146 local terms energy: -253.950600 where: bonds (distance) C4'-P energy: -54.121 bonds (distance) P-C4' energy: -56.309 flat angles C4'-P-C4' energy: -51.535 flat angles P-C4'-P energy: -30.961 tors. eta vs tors. theta energy: -61.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -883.307973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.307973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.307973 (E_RNA) where: Base-Base interactions energy: -596.186 where: short stacking energy: -258.494 Base-Backbone interact. energy: 0.167 local terms energy: -287.288165 where: bonds (distance) C4'-P energy: -48.676 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -62.811 flat angles P-C4'-P energy: -40.307 tors. eta vs tors. theta energy: -77.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -768.518633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.518633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.518633 (E_RNA) where: Base-Base interactions energy: -548.990 where: short stacking energy: -226.869 Base-Backbone interact. energy: -0.602 local terms energy: -218.926553 where: bonds (distance) C4'-P energy: -30.332 bonds (distance) P-C4' energy: -50.567 flat angles C4'-P-C4' energy: -54.781 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -52.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -639.380390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.380390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.380390 (E_RNA) where: Base-Base interactions energy: -419.085 where: short stacking energy: -182.464 Base-Backbone interact. energy: -1.861 local terms energy: -218.434293 where: bonds (distance) C4'-P energy: -38.373 bonds (distance) P-C4' energy: -53.880 flat angles C4'-P-C4' energy: -49.619 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -39.122 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: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -513.971164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.971164 (E_RNA) where: Base-Base interactions energy: -320.541 where: short stacking energy: -149.284 Base-Backbone interact. energy: 1.635 local terms energy: -195.065928 where: bonds (distance) C4'-P energy: -47.036 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -60.125 flat angles P-C4'-P energy: -16.046 tors. eta vs tors. theta energy: -22.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -458.713017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.713017 (E_RNA) where: Base-Base interactions energy: -262.640 where: short stacking energy: -120.730 Base-Backbone interact. energy: -0.477 local terms energy: -195.596240 where: bonds (distance) C4'-P energy: -43.627 bonds (distance) P-C4' energy: -42.890 flat angles C4'-P-C4' energy: -49.618 flat angles P-C4'-P energy: -33.898 tors. eta vs tors. theta energy: -25.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -293.691657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.691657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.691657 (E_RNA) where: Base-Base interactions energy: -131.716 where: short stacking energy: -89.696 Base-Backbone interact. energy: -1.487 local terms energy: -160.488430 where: bonds (distance) C4'-P energy: -42.646 bonds (distance) P-C4' energy: -42.772 flat angles C4'-P-C4' energy: -50.986 flat angles P-C4'-P energy: -17.850 tors. eta vs tors. theta energy: -6.234 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: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1032.658937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.658937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.658937 (E_RNA) where: Base-Base interactions energy: -737.328 where: short stacking energy: -298.552 Base-Backbone interact. energy: -1.105 local terms energy: -294.225502 where: bonds (distance) C4'-P energy: -57.138 bonds (distance) P-C4' energy: -53.457 flat angles C4'-P-C4' energy: -63.383 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -76.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -986.007062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.007062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.007062 (E_RNA) where: Base-Base interactions energy: -682.382 where: short stacking energy: -279.959 Base-Backbone interact. energy: 0.640 local terms energy: -304.264739 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -58.694 flat angles C4'-P-C4' energy: -70.696 flat angles P-C4'-P energy: -37.872 tors. eta vs tors. theta energy: -82.729 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: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -943.916710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.916710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.916710 (E_RNA) where: Base-Base interactions energy: -650.651 where: short stacking energy: -279.652 Base-Backbone interact. energy: -1.495 local terms energy: -291.770821 where: bonds (distance) C4'-P energy: -49.980 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -45.213 tors. eta vs tors. theta energy: -72.671 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: 144 Temperature: 1.050000 Total energy: -848.010469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.010469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.010469 (E_RNA) where: Base-Base interactions energy: -590.317 where: short stacking energy: -249.782 Base-Backbone interact. energy: -0.231 local terms energy: -257.462660 where: bonds (distance) C4'-P energy: -44.230 bonds (distance) P-C4' energy: -50.339 flat angles C4'-P-C4' energy: -56.726 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -68.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -893.900666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.900666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.900666 (E_RNA) where: Base-Base interactions energy: -616.515 where: short stacking energy: -271.217 Base-Backbone interact. energy: -0.574 local terms energy: -276.811047 where: bonds (distance) C4'-P energy: -36.712 bonds (distance) P-C4' energy: -63.017 flat angles C4'-P-C4' energy: -56.829 flat angles P-C4'-P energy: -41.194 tors. eta vs tors. theta energy: -79.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -758.878072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.878072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.878072 (E_RNA) where: Base-Base interactions energy: -504.881 where: short stacking energy: -223.193 Base-Backbone interact. energy: -0.112 local terms energy: -253.885278 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -52.647 flat angles P-C4'-P energy: -37.460 tors. eta vs tors. theta energy: -51.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -600.016870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.016870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.016870 (E_RNA) where: Base-Base interactions energy: -378.179 where: short stacking energy: -182.492 Base-Backbone interact. energy: 0.562 local terms energy: -222.399387 where: bonds (distance) C4'-P energy: -42.592 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -58.259 flat angles P-C4'-P energy: -30.480 tors. eta vs tors. theta energy: -36.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -519.254583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.254583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.254583 (E_RNA) where: Base-Base interactions energy: -311.335 where: short stacking energy: -141.020 Base-Backbone interact. energy: -2.607 local terms energy: -205.313130 where: bonds (distance) C4'-P energy: -42.131 bonds (distance) P-C4' energy: -49.474 flat angles C4'-P-C4' energy: -48.978 flat angles P-C4'-P energy: -31.456 tors. eta vs tors. theta energy: -33.274 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -274.232157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.232157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.232157 (E_RNA) where: Base-Base interactions energy: -125.366 where: short stacking energy: -95.242 Base-Backbone interact. energy: 1.976 local terms energy: -150.842888 where: bonds (distance) C4'-P energy: -42.800 bonds (distance) P-C4' energy: -40.318 flat angles C4'-P-C4' energy: -44.292 flat angles P-C4'-P energy: -18.815 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -400.318323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.318323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.318323 (E_RNA) where: Base-Base interactions energy: -219.822 where: short stacking energy: -95.839 Base-Backbone interact. energy: 0.696 local terms energy: -181.193022 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -51.789 flat angles C4'-P-C4' energy: -39.076 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1043.391544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.391544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.391544 (E_RNA) where: Base-Base interactions energy: -736.429 where: short stacking energy: -288.917 Base-Backbone interact. energy: -1.925 local terms energy: -305.037856 where: bonds (distance) C4'-P energy: -56.688 bonds (distance) P-C4' energy: -59.299 flat angles C4'-P-C4' energy: -68.231 flat angles P-C4'-P energy: -38.934 tors. eta vs tors. theta energy: -81.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -997.064741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.064741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.064741 (E_RNA) where: Base-Base interactions energy: -685.918 where: short stacking energy: -294.729 Base-Backbone interact. energy: -2.080 local terms energy: -309.066109 where: bonds (distance) C4'-P energy: -60.207 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -63.561 flat angles P-C4'-P energy: -35.673 tors. eta vs tors. theta energy: -89.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -930.977989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.977989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.977989 (E_RNA) where: Base-Base interactions energy: -649.187 where: short stacking energy: -273.705 Base-Backbone interact. energy: -1.878 local terms energy: -279.913017 where: bonds (distance) C4'-P energy: -46.181 bonds (distance) P-C4' energy: -60.588 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -34.640 tors. eta vs tors. theta energy: -75.479 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: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -932.738376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.738376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.738376 (E_RNA) where: Base-Base interactions energy: -653.787 where: short stacking energy: -285.428 Base-Backbone interact. energy: 2.081 local terms energy: -281.032478 where: bonds (distance) C4'-P energy: -53.976 bonds (distance) P-C4' energy: -51.852 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -30.663 tors. eta vs tors. theta energy: -82.125 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: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -833.324025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.324025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.324025 (E_RNA) where: Base-Base interactions energy: -563.613 where: short stacking energy: -245.881 Base-Backbone interact. energy: -1.238 local terms energy: -268.472496 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -47.217 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -65.301 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: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -786.916047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.916047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.916047 (E_RNA) where: Base-Base interactions energy: -525.451 where: short stacking energy: -252.692 Base-Backbone interact. energy: -1.261 local terms energy: -260.204595 where: bonds (distance) C4'-P energy: -44.954 bonds (distance) P-C4' energy: -52.426 flat angles C4'-P-C4' energy: -62.718 flat angles P-C4'-P energy: -33.679 tors. eta vs tors. theta energy: -66.427 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: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -641.194920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.194920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.194920 (E_RNA) where: Base-Base interactions energy: -409.177 where: short stacking energy: -179.388 Base-Backbone interact. energy: 2.718 local terms energy: -234.736050 where: bonds (distance) C4'-P energy: -45.879 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -40.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -531.827933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.827933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.827933 (E_RNA) where: Base-Base interactions energy: -324.740 where: short stacking energy: -147.601 Base-Backbone interact. energy: -0.070 local terms energy: -207.017796 where: bonds (distance) C4'-P energy: -45.674 bonds (distance) P-C4' energy: -41.101 flat angles C4'-P-C4' energy: -47.544 flat angles P-C4'-P energy: -38.773 tors. eta vs tors. theta energy: -33.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -273.815861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.815861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.815861 (E_RNA) where: Base-Base interactions energy: -112.700 where: short stacking energy: -97.001 Base-Backbone interact. energy: 0.388 local terms energy: -161.503872 where: bonds (distance) C4'-P energy: -47.435 bonds (distance) P-C4' energy: -42.524 flat angles C4'-P-C4' energy: -45.529 flat angles P-C4'-P energy: -24.005 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -421.314396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.314396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.314396 (E_RNA) where: Base-Base interactions energy: -242.937 where: short stacking energy: -109.590 Base-Backbone interact. energy: 0.763 local terms energy: -179.140508 where: bonds (distance) C4'-P energy: -46.557 bonds (distance) P-C4' energy: -51.517 flat angles C4'-P-C4' energy: -36.956 flat angles P-C4'-P energy: -36.123 tors. eta vs tors. theta energy: -7.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1066.288567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.288567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.288567 (E_RNA) where: Base-Base interactions energy: -755.777 where: short stacking energy: -312.124 Base-Backbone interact. energy: -2.699 local terms energy: -307.812812 where: bonds (distance) C4'-P energy: -62.066 bonds (distance) P-C4' energy: -45.711 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -86.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -969.578934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.578934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.578934 (E_RNA) where: Base-Base interactions energy: -670.193 where: short stacking energy: -273.603 Base-Backbone interact. energy: -2.081 local terms energy: -297.304980 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -60.146 flat angles C4'-P-C4' energy: -56.106 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -82.317 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -928.732012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.732012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.732012 (E_RNA) where: Base-Base interactions energy: -638.932 where: short stacking energy: -271.926 Base-Backbone interact. energy: -0.354 local terms energy: -289.446328 where: bonds (distance) C4'-P energy: -55.377 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -57.715 flat angles P-C4'-P energy: -34.251 tors. eta vs tors. theta energy: -80.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -893.400255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.400255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.400255 (E_RNA) where: Base-Base interactions energy: -619.169 where: short stacking energy: -261.356 Base-Backbone interact. energy: -0.816 local terms energy: -273.415270 where: bonds (distance) C4'-P energy: -55.861 bonds (distance) P-C4' energy: -55.825 flat angles C4'-P-C4' energy: -58.217 flat angles P-C4'-P energy: -33.334 tors. eta vs tors. theta energy: -70.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -779.030488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.030488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.030488 (E_RNA) where: Base-Base interactions energy: -526.961 where: short stacking energy: -214.585 Base-Backbone interact. energy: -2.838 local terms energy: -249.231675 where: bonds (distance) C4'-P energy: -60.037 bonds (distance) P-C4' energy: -50.376 flat angles C4'-P-C4' energy: -56.763 flat angles P-C4'-P energy: -31.297 tors. eta vs tors. theta energy: -50.759 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: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -705.577930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.577930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.577930 (E_RNA) where: Base-Base interactions energy: -467.894 where: short stacking energy: -213.826 Base-Backbone interact. energy: -0.327 local terms energy: -237.356245 where: bonds (distance) C4'-P energy: -49.296 bonds (distance) P-C4' energy: -47.368 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -48.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -667.493241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.493241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.493241 (E_RNA) where: Base-Base interactions energy: -439.427 where: short stacking energy: -202.968 Base-Backbone interact. energy: -0.791 local terms energy: -227.275556 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -50.441 flat angles C4'-P-C4' energy: -42.575 flat angles P-C4'-P energy: -27.057 tors. eta vs tors. theta energy: -48.364 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: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -555.184044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.184044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.184044 (E_RNA) where: Base-Base interactions energy: -344.378 where: short stacking energy: -169.283 Base-Backbone interact. energy: -0.389 local terms energy: -210.417009 where: bonds (distance) C4'-P energy: -44.219 bonds (distance) P-C4' energy: -46.388 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -29.981 tors. eta vs tors. theta energy: -35.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -438.722332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.722332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.722332 (E_RNA) where: Base-Base interactions energy: -247.655 where: short stacking energy: -121.665 Base-Backbone interact. energy: -1.031 local terms energy: -190.036535 where: bonds (distance) C4'-P energy: -45.838 bonds (distance) P-C4' energy: -55.443 flat angles C4'-P-C4' energy: -38.387 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -291.713419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.713419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.713419 (E_RNA) where: Base-Base interactions energy: -131.635 where: short stacking energy: -82.516 Base-Backbone interact. energy: -2.422 local terms energy: -157.656418 where: bonds (distance) C4'-P energy: -34.429 bonds (distance) P-C4' energy: -45.543 flat angles C4'-P-C4' energy: -49.625 flat angles P-C4'-P energy: -20.572 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1043.497880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.497880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.497880 (E_RNA) where: Base-Base interactions energy: -747.777 where: short stacking energy: -295.424 Base-Backbone interact. energy: -1.273 local terms energy: -294.448075 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -50.037 flat angles C4'-P-C4' energy: -70.488 flat angles P-C4'-P energy: -42.767 tors. eta vs tors. theta energy: -76.472 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: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -964.343174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.343174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.343174 (E_RNA) where: Base-Base interactions energy: -666.428 where: short stacking energy: -286.889 Base-Backbone interact. energy: -0.286 local terms energy: -297.629277 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -66.481 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -78.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -962.555681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.555681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.555681 (E_RNA) where: Base-Base interactions energy: -662.997 where: short stacking energy: -275.850 Base-Backbone interact. energy: -0.558 local terms energy: -299.000644 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -48.587 flat angles C4'-P-C4' energy: -70.385 flat angles P-C4'-P energy: -45.967 tors. eta vs tors. theta energy: -75.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -877.862609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.862609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.862609 (E_RNA) where: Base-Base interactions energy: -601.396 where: short stacking energy: -247.195 Base-Backbone interact. energy: -0.853 local terms energy: -275.613046 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -60.978 flat angles C4'-P-C4' energy: -63.657 flat angles P-C4'-P energy: -35.942 tors. eta vs tors. theta energy: -63.933 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: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -799.878409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.878409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.878409 (E_RNA) where: Base-Base interactions energy: -542.636 where: short stacking energy: -229.639 Base-Backbone interact. energy: -0.010 local terms energy: -257.233203 where: bonds (distance) C4'-P energy: -42.953 bonds (distance) P-C4' energy: -56.376 flat angles C4'-P-C4' energy: -61.870 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -58.195 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: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -787.317538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.317538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.317538 (E_RNA) where: Base-Base interactions energy: -522.523 where: short stacking energy: -230.356 Base-Backbone interact. energy: -0.104 local terms energy: -264.689950 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -51.038 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: -65.313 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: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -645.698791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.698791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.698791 (E_RNA) where: Base-Base interactions energy: -417.275 where: short stacking energy: -194.463 Base-Backbone interact. energy: 1.421 local terms energy: -229.845292 where: bonds (distance) C4'-P energy: -45.030 bonds (distance) P-C4' energy: -54.792 flat angles C4'-P-C4' energy: -54.773 flat angles P-C4'-P energy: -29.778 tors. eta vs tors. theta energy: -45.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -533.983440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.983440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.983440 (E_RNA) where: Base-Base interactions energy: -326.128 where: short stacking energy: -179.535 Base-Backbone interact. energy: 1.701 local terms energy: -209.556184 where: bonds (distance) C4'-P energy: -53.806 bonds (distance) P-C4' energy: -42.240 flat angles C4'-P-C4' energy: -54.017 flat angles P-C4'-P energy: -28.937 tors. eta vs tors. theta energy: -30.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -463.737334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.737334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.737334 (E_RNA) where: Base-Base interactions energy: -269.202 where: short stacking energy: -110.297 Base-Backbone interact. energy: 0.288 local terms energy: -194.824107 where: bonds (distance) C4'-P energy: -50.881 bonds (distance) P-C4' energy: -56.178 flat angles C4'-P-C4' energy: -36.340 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: -15.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -298.840222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.840222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.840222 (E_RNA) where: Base-Base interactions energy: -143.159 where: short stacking energy: -78.216 Base-Backbone interact. energy: -1.581 local terms energy: -154.099411 where: bonds (distance) C4'-P energy: -37.799 bonds (distance) P-C4' energy: -49.352 flat angles C4'-P-C4' energy: -47.562 flat angles P-C4'-P energy: -30.647 tors. eta vs tors. theta energy: 11.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1034.023006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.023006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.023006 (E_RNA) where: Base-Base interactions energy: -736.356 where: short stacking energy: -293.206 Base-Backbone interact. energy: -1.084 local terms energy: -296.582617 where: bonds (distance) C4'-P energy: -52.930 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -67.871 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: -77.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -984.540588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.540588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.540588 (E_RNA) where: Base-Base interactions energy: -694.026 where: short stacking energy: -301.662 Base-Backbone interact. energy: -0.909 local terms energy: -289.605535 where: bonds (distance) C4'-P energy: -47.084 bonds (distance) P-C4' energy: -57.500 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -79.615 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: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -971.063656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.063656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.063656 (E_RNA) where: Base-Base interactions energy: -690.428 where: short stacking energy: -280.051 Base-Backbone interact. energy: 1.010 local terms energy: -281.645405 where: bonds (distance) C4'-P energy: -41.014 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -75.138 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: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -860.922278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.922278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.922278 (E_RNA) where: Base-Base interactions energy: -585.678 where: short stacking energy: -234.881 Base-Backbone interact. energy: -1.544 local terms energy: -273.700246 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -56.711 flat angles P-C4'-P energy: -38.076 tors. eta vs tors. theta energy: -61.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -798.572099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.572099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.572099 (E_RNA) where: Base-Base interactions energy: -536.525 where: short stacking energy: -225.156 Base-Backbone interact. energy: -0.958 local terms energy: -261.089221 where: bonds (distance) C4'-P energy: -47.144 bonds (distance) P-C4' energy: -49.340 flat angles C4'-P-C4' energy: -60.286 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -65.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -758.090725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.090725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.090725 (E_RNA) where: Base-Base interactions energy: -512.762 where: short stacking energy: -233.726 Base-Backbone interact. energy: 0.015 local terms energy: -245.344375 where: bonds (distance) C4'-P energy: -46.819 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -49.429 flat angles P-C4'-P energy: -27.382 tors. eta vs tors. theta energy: -60.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -660.915523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.915523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.915523 (E_RNA) where: Base-Base interactions energy: -427.361 where: short stacking energy: -192.914 Base-Backbone interact. energy: 0.187 local terms energy: -233.741616 where: bonds (distance) C4'-P energy: -50.097 bonds (distance) P-C4' energy: -50.958 flat angles C4'-P-C4' energy: -56.616 flat angles P-C4'-P energy: -29.227 tors. eta vs tors. theta energy: -46.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -533.788516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.788516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.788516 (E_RNA) where: Base-Base interactions energy: -337.515 where: short stacking energy: -178.382 Base-Backbone interact. energy: 0.579 local terms energy: -196.852422 where: bonds (distance) C4'-P energy: -50.137 bonds (distance) P-C4' energy: -46.160 flat angles C4'-P-C4' energy: -48.830 flat angles P-C4'-P energy: -25.132 tors. eta vs tors. theta energy: -26.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -458.906774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.906774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.906774 (E_RNA) where: Base-Base interactions energy: -266.437 where: short stacking energy: -120.826 Base-Backbone interact. energy: -0.785 local terms energy: -191.685435 where: bonds (distance) C4'-P energy: -53.295 bonds (distance) P-C4' energy: -52.246 flat angles C4'-P-C4' energy: -45.034 flat angles P-C4'-P energy: -24.066 tors. eta vs tors. theta energy: -17.044 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: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -332.717752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.717752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.717752 (E_RNA) where: Base-Base interactions energy: -173.415 where: short stacking energy: -96.084 Base-Backbone interact. energy: 6.901 local terms energy: -166.203481 where: bonds (distance) C4'-P energy: -53.109 bonds (distance) P-C4' energy: -42.535 flat angles C4'-P-C4' energy: -35.772 flat angles P-C4'-P energy: -30.849 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1040.803390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.803390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.803390 (E_RNA) where: Base-Base interactions energy: -739.701 where: short stacking energy: -298.250 Base-Backbone interact. energy: -0.595 local terms energy: -300.507075 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -74.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1010.917874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.917874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.917874 (E_RNA) where: Base-Base interactions energy: -710.503 where: short stacking energy: -279.987 Base-Backbone interact. energy: -0.796 local terms energy: -299.618982 where: bonds (distance) C4'-P energy: -58.248 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -62.620 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -79.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -970.785089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.785089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.785089 (E_RNA) where: Base-Base interactions energy: -678.656 where: short stacking energy: -281.837 Base-Backbone interact. energy: -0.894 local terms energy: -291.234780 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -60.264 flat angles C4'-P-C4' energy: -57.868 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -79.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -881.279303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.279303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.279303 (E_RNA) where: Base-Base interactions energy: -607.358 where: short stacking energy: -259.346 Base-Backbone interact. energy: -0.422 local terms energy: -273.499258 where: bonds (distance) C4'-P energy: -47.508 bonds (distance) P-C4' energy: -59.930 flat angles C4'-P-C4' energy: -53.718 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -75.575 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: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -824.688850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.688850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.688850 (E_RNA) where: Base-Base interactions energy: -550.738 where: short stacking energy: -233.062 Base-Backbone interact. energy: -1.015 local terms energy: -272.935193 where: bonds (distance) C4'-P energy: -53.994 bonds (distance) P-C4' energy: -57.545 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -66.124 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: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -784.969244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.969244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.969244 (E_RNA) where: Base-Base interactions energy: -544.152 where: short stacking energy: -241.149 Base-Backbone interact. energy: 0.103 local terms energy: -240.920098 where: bonds (distance) C4'-P energy: -48.609 bonds (distance) P-C4' energy: -58.428 flat angles C4'-P-C4' energy: -59.257 flat angles P-C4'-P energy: -20.025 tors. eta vs tors. theta energy: -54.602 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: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -631.014219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.014219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.014219 (E_RNA) where: Base-Base interactions energy: -400.809 where: short stacking energy: -175.613 Base-Backbone interact. energy: -1.735 local terms energy: -228.469702 where: bonds (distance) C4'-P energy: -50.517 bonds (distance) P-C4' energy: -49.533 flat angles C4'-P-C4' energy: -58.949 flat angles P-C4'-P energy: -23.953 tors. eta vs tors. theta energy: -45.517 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: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -519.293416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.293416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.293416 (E_RNA) where: Base-Base interactions energy: -319.398 where: short stacking energy: -135.751 Base-Backbone interact. energy: -0.457 local terms energy: -199.438777 where: bonds (distance) C4'-P energy: -53.211 bonds (distance) P-C4' energy: -45.102 flat angles C4'-P-C4' energy: -51.129 flat angles P-C4'-P energy: -27.004 tors. eta vs tors. theta energy: -22.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -459.564381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.564381 (E_RNA) where: Base-Base interactions energy: -285.608 where: short stacking energy: -153.881 Base-Backbone interact. energy: 0.448 local terms energy: -174.405079 where: bonds (distance) C4'-P energy: -42.893 bonds (distance) P-C4' energy: -50.111 flat angles C4'-P-C4' energy: -31.935 flat angles P-C4'-P energy: -23.886 tors. eta vs tors. theta energy: -25.581 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: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -355.680150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.680150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.680150 (E_RNA) where: Base-Base interactions energy: -184.711 where: short stacking energy: -113.963 Base-Backbone interact. energy: 2.160 local terms energy: -173.129173 where: bonds (distance) C4'-P energy: -42.207 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -43.674 flat angles P-C4'-P energy: -28.987 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1037.417488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.417488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.417488 (E_RNA) where: Base-Base interactions energy: -743.728 where: short stacking energy: -305.742 Base-Backbone interact. energy: -1.471 local terms energy: -292.219004 where: bonds (distance) C4'-P energy: -54.102 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: -83.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1011.557847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.557847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.557847 (E_RNA) where: Base-Base interactions energy: -711.241 where: short stacking energy: -287.938 Base-Backbone interact. energy: 1.019 local terms energy: -301.335628 where: bonds (distance) C4'-P energy: -58.557 bonds (distance) P-C4' energy: -58.998 flat angles C4'-P-C4' energy: -56.488 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: -85.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -969.214913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.214913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.214913 (E_RNA) where: Base-Base interactions energy: -672.065 where: short stacking energy: -269.466 Base-Backbone interact. energy: 0.566 local terms energy: -297.716274 where: bonds (distance) C4'-P energy: -52.174 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -66.740 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -72.577 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: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -903.453325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.453325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.453325 (E_RNA) where: Base-Base interactions energy: -620.725 where: short stacking energy: -262.559 Base-Backbone interact. energy: -3.393 local terms energy: -279.335448 where: bonds (distance) C4'-P energy: -47.260 bonds (distance) P-C4' energy: -51.716 flat angles C4'-P-C4' energy: -65.790 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: -76.477 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: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -836.033838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.033838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.033838 (E_RNA) where: Base-Base interactions energy: -553.425 where: short stacking energy: -242.484 Base-Backbone interact. energy: -0.356 local terms energy: -282.252219 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -54.048 flat angles C4'-P-C4' energy: -62.809 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -75.143 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -798.379772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.379772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.379772 (E_RNA) where: Base-Base interactions energy: -548.774 where: short stacking energy: -231.979 Base-Backbone interact. energy: -0.674 local terms energy: -248.931967 where: bonds (distance) C4'-P energy: -51.527 bonds (distance) P-C4' energy: -47.356 flat angles C4'-P-C4' energy: -59.263 flat angles P-C4'-P energy: -35.166 tors. eta vs tors. theta energy: -55.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -607.793414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.793414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.793414 (E_RNA) where: Base-Base interactions energy: -375.611 where: short stacking energy: -175.621 Base-Backbone interact. energy: -4.607 local terms energy: -227.575871 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -48.710 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -32.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -532.601003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.601003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.601003 (E_RNA) where: Base-Base interactions energy: -334.851 where: short stacking energy: -139.456 Base-Backbone interact. energy: -2.052 local terms energy: -195.697538 where: bonds (distance) C4'-P energy: -56.144 bonds (distance) P-C4' energy: -46.104 flat angles C4'-P-C4' energy: -51.336 flat angles P-C4'-P energy: -21.827 tors. eta vs tors. theta energy: -20.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -482.241997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.241997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.241997 (E_RNA) where: Base-Base interactions energy: -295.792 where: short stacking energy: -166.114 Base-Backbone interact. energy: 1.397 local terms energy: -187.846943 where: bonds (distance) C4'-P energy: -41.260 bonds (distance) P-C4' energy: -39.598 flat angles C4'-P-C4' energy: -51.803 flat angles P-C4'-P energy: -27.875 tors. eta vs tors. theta energy: -27.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -328.928610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.928610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.928610 (E_RNA) where: Base-Base interactions energy: -157.106 where: short stacking energy: -91.107 Base-Backbone interact. energy: -0.556 local terms energy: -171.266851 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -51.825 flat angles C4'-P-C4' energy: -49.633 flat angles P-C4'-P energy: -23.784 tors. eta vs tors. theta energy: 9.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1035.254037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.254037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.254037 (E_RNA) where: Base-Base interactions energy: -725.831 where: short stacking energy: -296.489 Base-Backbone interact. energy: -0.008 local terms energy: -309.414955 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -66.378 flat angles P-C4'-P energy: -46.008 tors. eta vs tors. theta energy: -79.057 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: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1015.480769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.480769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.480769 (E_RNA) where: Base-Base interactions energy: -718.392 where: short stacking energy: -289.008 Base-Backbone interact. energy: -0.113 local terms energy: -296.975318 where: bonds (distance) C4'-P energy: -53.287 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -62.001 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -84.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -963.754454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.754454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.754454 (E_RNA) where: Base-Base interactions energy: -687.125 where: short stacking energy: -282.635 Base-Backbone interact. energy: -2.469 local terms energy: -274.160795 where: bonds (distance) C4'-P energy: -54.516 bonds (distance) P-C4' energy: -48.232 flat angles C4'-P-C4' energy: -57.830 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -74.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -890.281589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.281589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.281589 (E_RNA) where: Base-Base interactions energy: -621.270 where: short stacking energy: -268.402 Base-Backbone interact. energy: -0.932 local terms energy: -268.079616 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -51.297 flat angles C4'-P-C4' energy: -53.535 flat angles P-C4'-P energy: -35.245 tors. eta vs tors. theta energy: -73.012 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: 151 Temperature: 1.100000 Total energy: -827.844615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.844615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.844615 (E_RNA) where: Base-Base interactions energy: -560.578 where: short stacking energy: -248.036 Base-Backbone interact. energy: -1.698 local terms energy: -265.568768 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -51.601 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: -71.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -793.909927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.909927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.909927 (E_RNA) where: Base-Base interactions energy: -542.956 where: short stacking energy: -245.971 Base-Backbone interact. energy: -2.560 local terms energy: -248.393573 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -43.663 flat angles P-C4'-P energy: -35.168 tors. eta vs tors. theta energy: -57.673 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: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -621.160750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.160750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.160750 (E_RNA) where: Base-Base interactions energy: -417.462 where: short stacking energy: -188.835 Base-Backbone interact. energy: -0.070 local terms energy: -203.627891 where: bonds (distance) C4'-P energy: -46.143 bonds (distance) P-C4' energy: -37.170 flat angles C4'-P-C4' energy: -43.690 flat angles P-C4'-P energy: -41.342 tors. eta vs tors. theta energy: -35.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -566.902886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.902886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.902886 (E_RNA) where: Base-Base interactions energy: -361.141 where: short stacking energy: -159.273 Base-Backbone interact. energy: -0.962 local terms energy: -204.799059 where: bonds (distance) C4'-P energy: -43.128 bonds (distance) P-C4' energy: -46.878 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -25.366 tors. eta vs tors. theta energy: -31.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -520.447645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.447645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.447645 (E_RNA) where: Base-Base interactions energy: -322.638 where: short stacking energy: -153.620 Base-Backbone interact. energy: -0.646 local terms energy: -197.164339 where: bonds (distance) C4'-P energy: -53.709 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -45.795 flat angles P-C4'-P energy: -19.217 tors. eta vs tors. theta energy: -28.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -341.779301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.779301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.779301 (E_RNA) where: Base-Base interactions energy: -181.940 where: short stacking energy: -102.376 Base-Backbone interact. energy: 0.096 local terms energy: -159.935040 where: bonds (distance) C4'-P energy: -47.206 bonds (distance) P-C4' energy: -55.624 flat angles C4'-P-C4' energy: -31.803 flat angles P-C4'-P energy: -18.737 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1035.851943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.851943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.851943 (E_RNA) where: Base-Base interactions energy: -724.449 where: short stacking energy: -299.594 Base-Backbone interact. energy: -0.391 local terms energy: -311.012467 where: bonds (distance) C4'-P energy: -61.389 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -66.785 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -79.737 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: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1030.820297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.820297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.820297 (E_RNA) where: Base-Base interactions energy: -738.447 where: short stacking energy: -292.741 Base-Backbone interact. energy: -2.208 local terms energy: -290.165124 where: bonds (distance) C4'-P energy: -51.982 bonds (distance) P-C4' energy: -49.026 flat angles C4'-P-C4' energy: -61.354 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: -86.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -992.514079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.514079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.514079 (E_RNA) where: Base-Base interactions energy: -684.419 where: short stacking energy: -277.600 Base-Backbone interact. energy: -2.077 local terms energy: -306.017540 where: bonds (distance) C4'-P energy: -56.412 bonds (distance) P-C4' energy: -59.330 flat angles C4'-P-C4' energy: -62.759 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -83.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -916.216203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.216203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.216203 (E_RNA) where: Base-Base interactions energy: -625.279 where: short stacking energy: -255.017 Base-Backbone interact. energy: -1.182 local terms energy: -289.755057 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -30.264 tors. eta vs tors. theta energy: -65.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -835.136441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.136441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.136441 (E_RNA) where: Base-Base interactions energy: -584.755 where: short stacking energy: -238.165 Base-Backbone interact. energy: -1.429 local terms energy: -248.952603 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -49.543 flat angles C4'-P-C4' energy: -53.405 flat angles P-C4'-P energy: -28.007 tors. eta vs tors. theta energy: -63.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -764.124606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.124606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.124606 (E_RNA) where: Base-Base interactions energy: -526.592 where: short stacking energy: -223.221 Base-Backbone interact. energy: -1.266 local terms energy: -236.265828 where: bonds (distance) C4'-P energy: -47.702 bonds (distance) P-C4' energy: -52.280 flat angles C4'-P-C4' energy: -48.282 flat angles P-C4'-P energy: -27.219 tors. eta vs tors. theta energy: -60.783 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: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -616.690223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.690223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.690223 (E_RNA) where: Base-Base interactions energy: -396.418 where: short stacking energy: -181.412 Base-Backbone interact. energy: -0.995 local terms energy: -219.277726 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -54.176 flat angles C4'-P-C4' energy: -43.646 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: -41.641 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: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -584.908073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.908073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.908073 (E_RNA) where: Base-Base interactions energy: -363.075 where: short stacking energy: -164.242 Base-Backbone interact. energy: 0.565 local terms energy: -222.398044 where: bonds (distance) C4'-P energy: -55.451 bonds (distance) P-C4' energy: -50.019 flat angles C4'-P-C4' energy: -44.745 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -26.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -492.947873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.947873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.947873 (E_RNA) where: Base-Base interactions energy: -318.311 where: short stacking energy: -147.906 Base-Backbone interact. energy: -0.392 local terms energy: -174.244948 where: bonds (distance) C4'-P energy: -38.929 bonds (distance) P-C4' energy: -52.014 flat angles C4'-P-C4' energy: -48.635 flat angles P-C4'-P energy: -17.299 tors. eta vs tors. theta energy: -17.368 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: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -317.346690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.346690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.346690 (E_RNA) where: Base-Base interactions energy: -132.465 where: short stacking energy: -76.275 Base-Backbone interact. energy: -1.713 local terms energy: -183.168893 where: bonds (distance) C4'-P energy: -43.844 bonds (distance) P-C4' energy: -39.419 flat angles C4'-P-C4' energy: -55.475 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1038.769141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.769141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.769141 (E_RNA) where: Base-Base interactions energy: -730.346 where: short stacking energy: -285.281 Base-Backbone interact. energy: -0.977 local terms energy: -307.446336 where: bonds (distance) C4'-P energy: -56.749 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -70.191 flat angles P-C4'-P energy: -43.232 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: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1013.100082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.100082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.100082 (E_RNA) where: Base-Base interactions energy: -716.281 where: short stacking energy: -290.618 Base-Backbone interact. energy: -1.354 local terms energy: -295.464850 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -52.642 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -44.586 tors. eta vs tors. theta energy: -83.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -996.469709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.469709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.469709 (E_RNA) where: Base-Base interactions energy: -713.857 where: short stacking energy: -287.993 Base-Backbone interact. energy: -2.896 local terms energy: -279.716590 where: bonds (distance) C4'-P energy: -48.565 bonds (distance) P-C4' energy: -54.047 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -38.599 tors. eta vs tors. theta energy: -76.576 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: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -905.537963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.537963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.537963 (E_RNA) where: Base-Base interactions energy: -627.927 where: short stacking energy: -275.418 Base-Backbone interact. energy: -0.933 local terms energy: -276.677852 where: bonds (distance) C4'-P energy: -50.214 bonds (distance) P-C4' energy: -51.910 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -42.058 tors. eta vs tors. theta energy: -72.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -826.196286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.196286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.196286 (E_RNA) where: Base-Base interactions energy: -571.247 where: short stacking energy: -245.424 Base-Backbone interact. energy: -2.034 local terms energy: -252.914894 where: bonds (distance) C4'-P energy: -53.079 bonds (distance) P-C4' energy: -52.752 flat angles C4'-P-C4' energy: -43.503 flat angles P-C4'-P energy: -35.079 tors. eta vs tors. theta energy: -68.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -744.002803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.002803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.002803 (E_RNA) where: Base-Base interactions energy: -487.009 where: short stacking energy: -231.446 Base-Backbone interact. energy: -0.167 local terms energy: -256.826891 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -55.380 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -29.444 tors. eta vs tors. theta energy: -58.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -580.051980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.051980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.051980 (E_RNA) where: Base-Base interactions energy: -365.649 where: short stacking energy: -168.859 Base-Backbone interact. energy: 0.362 local terms energy: -214.764846 where: bonds (distance) C4'-P energy: -47.219 bonds (distance) P-C4' energy: -53.554 flat angles C4'-P-C4' energy: -42.867 flat angles P-C4'-P energy: -34.326 tors. eta vs tors. theta energy: -36.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -624.157297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.157297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.157297 (E_RNA) where: Base-Base interactions energy: -402.247 where: short stacking energy: -174.966 Base-Backbone interact. energy: 0.006 local terms energy: -221.916015 where: bonds (distance) C4'-P energy: -42.191 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -58.351 flat angles P-C4'-P energy: -30.241 tors. eta vs tors. theta energy: -37.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -477.998438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.998438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.998438 (E_RNA) where: Base-Base interactions energy: -269.877 where: short stacking energy: -131.304 Base-Backbone interact. energy: -1.329 local terms energy: -206.792770 where: bonds (distance) C4'-P energy: -48.316 bonds (distance) P-C4' energy: -52.490 flat angles C4'-P-C4' energy: -48.751 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -19.589 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -377.538360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.538360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.538360 (E_RNA) where: Base-Base interactions energy: -215.775 where: short stacking energy: -103.288 Base-Backbone interact. energy: -0.802 local terms energy: -160.961948 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -50.810 flat angles C4'-P-C4' energy: -29.944 flat angles P-C4'-P energy: -19.313 tors. eta vs tors. theta energy: -3.492 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: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1023.222483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.222483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.222483 (E_RNA) where: Base-Base interactions energy: -725.099 where: short stacking energy: -301.708 Base-Backbone interact. energy: 0.358 local terms energy: -298.482199 where: bonds (distance) C4'-P energy: -57.865 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -64.184 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -82.353 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: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1014.309889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.309889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.309889 (E_RNA) where: Base-Base interactions energy: -708.312 where: short stacking energy: -287.556 Base-Backbone interact. energy: -2.137 local terms energy: -303.860360 where: bonds (distance) C4'-P energy: -52.109 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -62.219 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -82.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -992.377395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.377395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.377395 (E_RNA) where: Base-Base interactions energy: -696.890 where: short stacking energy: -282.514 Base-Backbone interact. energy: 3.016 local terms energy: -298.502882 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -65.707 flat angles P-C4'-P energy: -32.030 tors. eta vs tors. theta energy: -78.875 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: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -892.398353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.398353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.398353 (E_RNA) where: Base-Base interactions energy: -605.418 where: short stacking energy: -246.770 Base-Backbone interact. energy: 1.083 local terms energy: -288.063724 where: bonds (distance) C4'-P energy: -61.219 bonds (distance) P-C4' energy: -52.627 flat angles C4'-P-C4' energy: -55.710 flat angles P-C4'-P energy: -46.613 tors. eta vs tors. theta energy: -71.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -821.075377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.075377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.075377 (E_RNA) where: Base-Base interactions energy: -572.338 where: short stacking energy: -251.399 Base-Backbone interact. energy: 0.075 local terms energy: -248.812161 where: bonds (distance) C4'-P energy: -37.469 bonds (distance) P-C4' energy: -55.846 flat angles C4'-P-C4' energy: -59.979 flat angles P-C4'-P energy: -25.602 tors. eta vs tors. theta energy: -69.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -799.123289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.123289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.123289 (E_RNA) where: Base-Base interactions energy: -520.675 where: short stacking energy: -233.804 Base-Backbone interact. energy: -1.723 local terms energy: -276.725479 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -55.601 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: -66.198 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: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -584.389735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.389735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.389735 (E_RNA) where: Base-Base interactions energy: -389.639 where: short stacking energy: -189.141 Base-Backbone interact. energy: -0.598 local terms energy: -194.152546 where: bonds (distance) C4'-P energy: -38.315 bonds (distance) P-C4' energy: -43.915 flat angles C4'-P-C4' energy: -52.333 flat angles P-C4'-P energy: -22.426 tors. eta vs tors. theta energy: -37.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -621.812220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.812220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.812220 (E_RNA) where: Base-Base interactions energy: -389.493 where: short stacking energy: -169.736 Base-Backbone interact. energy: -2.151 local terms energy: -230.168717 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -55.404 flat angles C4'-P-C4' energy: -50.067 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -32.777 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: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -501.061132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.061132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.061132 (E_RNA) where: Base-Base interactions energy: -288.812 where: short stacking energy: -147.071 Base-Backbone interact. energy: -0.054 local terms energy: -212.195040 where: bonds (distance) C4'-P energy: -49.727 bonds (distance) P-C4' energy: -58.719 flat angles C4'-P-C4' energy: -50.053 flat angles P-C4'-P energy: -24.777 tors. eta vs tors. theta energy: -28.919 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: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -409.110079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.110079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.110079 (E_RNA) where: Base-Base interactions energy: -239.440 where: short stacking energy: -108.598 Base-Backbone interact. energy: 3.561 local terms energy: -173.231025 where: bonds (distance) C4'-P energy: -54.183 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -32.761 flat angles P-C4'-P energy: -22.722 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1026.244356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.244356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.244356 (E_RNA) where: Base-Base interactions energy: -729.140 where: short stacking energy: -298.166 Base-Backbone interact. energy: -0.385 local terms energy: -296.718801 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -54.254 flat angles C4'-P-C4' energy: -65.666 flat angles P-C4'-P energy: -40.826 tors. eta vs tors. theta energy: -83.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1008.624545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.624545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.624545 (E_RNA) where: Base-Base interactions energy: -724.582 where: short stacking energy: -285.334 Base-Backbone interact. energy: -1.115 local terms energy: -282.927847 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -56.967 flat angles C4'-P-C4' energy: -59.648 flat angles P-C4'-P energy: -37.729 tors. eta vs tors. theta energy: -76.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -995.926660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.926660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.926660 (E_RNA) where: Base-Base interactions energy: -700.880 where: short stacking energy: -281.329 Base-Backbone interact. energy: -0.796 local terms energy: -294.251213 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -75.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -914.850736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.850736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.850736 (E_RNA) where: Base-Base interactions energy: -638.714 where: short stacking energy: -289.178 Base-Backbone interact. energy: -1.200 local terms energy: -274.936757 where: bonds (distance) C4'-P energy: -43.209 bonds (distance) P-C4' energy: -53.078 flat angles C4'-P-C4' energy: -62.011 flat angles P-C4'-P energy: -34.006 tors. eta vs tors. theta energy: -82.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -842.382599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.382599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.382599 (E_RNA) where: Base-Base interactions energy: -565.395 where: short stacking energy: -240.337 Base-Backbone interact. energy: -1.791 local terms energy: -275.196336 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -41.885 tors. eta vs tors. theta energy: -64.033 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: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -792.704631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.704631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.704631 (E_RNA) where: Base-Base interactions energy: -519.281 where: short stacking energy: -238.457 Base-Backbone interact. energy: -0.040 local terms energy: -273.384340 where: bonds (distance) C4'-P energy: -50.867 bonds (distance) P-C4' energy: -52.610 flat angles C4'-P-C4' energy: -62.817 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -61.933 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: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -610.857535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.857535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.857535 (E_RNA) where: Base-Base interactions energy: -383.105 where: short stacking energy: -191.426 Base-Backbone interact. energy: -0.179 local terms energy: -227.573619 where: bonds (distance) C4'-P energy: -43.843 bonds (distance) P-C4' energy: -51.505 flat angles C4'-P-C4' energy: -51.102 flat angles P-C4'-P energy: -37.785 tors. eta vs tors. theta energy: -43.337 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: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -605.523210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.523210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.523210 (E_RNA) where: Base-Base interactions energy: -382.080 where: short stacking energy: -169.200 Base-Backbone interact. energy: -0.268 local terms energy: -223.175176 where: bonds (distance) C4'-P energy: -50.027 bonds (distance) P-C4' energy: -52.511 flat angles C4'-P-C4' energy: -64.035 flat angles P-C4'-P energy: -27.461 tors. eta vs tors. theta energy: -29.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -526.998249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.998249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.998249 (E_RNA) where: Base-Base interactions energy: -333.073 where: short stacking energy: -155.883 Base-Backbone interact. energy: 0.435 local terms energy: -194.359721 where: bonds (distance) C4'-P energy: -42.631 bonds (distance) P-C4' energy: -52.044 flat angles C4'-P-C4' energy: -51.347 flat angles P-C4'-P energy: -15.036 tors. eta vs tors. theta energy: -33.302 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: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -456.602266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.602266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.602266 (E_RNA) where: Base-Base interactions energy: -279.364 where: short stacking energy: -138.127 Base-Backbone interact. energy: 2.406 local terms energy: -179.644220 where: bonds (distance) C4'-P energy: -51.971 bonds (distance) P-C4' energy: -42.764 flat angles C4'-P-C4' energy: -36.080 flat angles P-C4'-P energy: -27.884 tors. eta vs tors. theta energy: -20.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1043.776640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.776640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.776640 (E_RNA) where: Base-Base interactions energy: -734.758 where: short stacking energy: -304.647 Base-Backbone interact. energy: -0.050 local terms energy: -308.968491 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -53.389 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -84.753 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: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1022.739652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.739652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.739652 (E_RNA) where: Base-Base interactions energy: -725.920 where: short stacking energy: -289.388 Base-Backbone interact. energy: -0.630 local terms energy: -296.190456 where: bonds (distance) C4'-P energy: -50.770 bonds (distance) P-C4' energy: -59.979 flat angles C4'-P-C4' energy: -67.959 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -80.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1016.950680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.950680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.950680 (E_RNA) where: Base-Base interactions energy: -723.362 where: short stacking energy: -287.899 Base-Backbone interact. energy: -3.465 local terms energy: -290.123860 where: bonds (distance) C4'-P energy: -49.758 bonds (distance) P-C4' energy: -49.828 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -41.201 tors. eta vs tors. theta energy: -86.688 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: 9 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -881.080223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.080223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.080223 (E_RNA) where: Base-Base interactions energy: -607.903 where: short stacking energy: -259.678 Base-Backbone interact. energy: -1.467 local terms energy: -271.710575 where: bonds (distance) C4'-P energy: -50.484 bonds (distance) P-C4' energy: -57.379 flat angles C4'-P-C4' energy: -60.891 flat angles P-C4'-P energy: -36.013 tors. eta vs tors. theta energy: -66.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -872.769421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.769421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.769421 (E_RNA) where: Base-Base interactions energy: -585.660 where: short stacking energy: -248.375 Base-Backbone interact. energy: -2.750 local terms energy: -284.359185 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -65.209 flat angles C4'-P-C4' energy: -61.559 flat angles P-C4'-P energy: -32.560 tors. eta vs tors. theta energy: -71.667 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -773.393466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.393466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.393466 (E_RNA) where: Base-Base interactions energy: -528.692 where: short stacking energy: -240.425 Base-Backbone interact. energy: -1.405 local terms energy: -243.297124 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -45.169 flat angles C4'-P-C4' energy: -51.453 flat angles P-C4'-P energy: -39.103 tors. eta vs tors. theta energy: -52.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -628.010568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.010568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.010568 (E_RNA) where: Base-Base interactions energy: -404.925 where: short stacking energy: -192.256 Base-Backbone interact. energy: 0.850 local terms energy: -223.935807 where: bonds (distance) C4'-P energy: -56.658 bonds (distance) P-C4' energy: -50.628 flat angles C4'-P-C4' energy: -53.705 flat angles P-C4'-P energy: -27.171 tors. eta vs tors. theta energy: -35.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -581.509937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.509937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.509937 (E_RNA) where: Base-Base interactions energy: -388.149 where: short stacking energy: -166.470 Base-Backbone interact. energy: -1.429 local terms energy: -191.931820 where: bonds (distance) C4'-P energy: -45.780 bonds (distance) P-C4' energy: -35.861 flat angles C4'-P-C4' energy: -46.473 flat angles P-C4'-P energy: -34.417 tors. eta vs tors. theta energy: -29.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -503.130945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.130945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.130945 (E_RNA) where: Base-Base interactions energy: -296.344 where: short stacking energy: -143.774 Base-Backbone interact. energy: 0.817 local terms energy: -207.604531 where: bonds (distance) C4'-P energy: -42.851 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -43.862 flat angles P-C4'-P energy: -32.538 tors. eta vs tors. theta energy: -29.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -427.332431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.332431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.332431 (E_RNA) where: Base-Base interactions energy: -256.428 where: short stacking energy: -129.277 Base-Backbone interact. energy: 0.791 local terms energy: -171.694982 where: bonds (distance) C4'-P energy: -37.084 bonds (distance) P-C4' energy: -49.817 flat angles C4'-P-C4' energy: -45.765 flat angles P-C4'-P energy: -28.798 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1034.895553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.895553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.895553 (E_RNA) where: Base-Base interactions energy: -736.866 where: short stacking energy: -312.929 Base-Backbone interact. energy: -1.148 local terms energy: -296.881906 where: bonds (distance) C4'-P energy: -51.290 bonds (distance) P-C4' energy: -53.681 flat angles C4'-P-C4' energy: -62.728 flat angles P-C4'-P energy: -49.416 tors. eta vs tors. theta energy: -79.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1017.664054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.664054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.664054 (E_RNA) where: Base-Base interactions energy: -712.067 where: short stacking energy: -292.204 Base-Backbone interact. energy: -0.362 local terms energy: -305.235291 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -54.650 flat angles C4'-P-C4' energy: -61.009 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -75.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -996.972093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.972093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.972093 (E_RNA) where: Base-Base interactions energy: -702.548 where: short stacking energy: -283.423 Base-Backbone interact. energy: -2.375 local terms energy: -292.049415 where: bonds (distance) C4'-P energy: -53.652 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -66.240 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -77.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -868.371785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.371785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.371785 (E_RNA) where: Base-Base interactions energy: -608.923 where: short stacking energy: -260.007 Base-Backbone interact. energy: 1.952 local terms energy: -261.401123 where: bonds (distance) C4'-P energy: -50.893 bonds (distance) P-C4' energy: -45.970 flat angles C4'-P-C4' energy: -61.267 flat angles P-C4'-P energy: -40.234 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: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -833.642199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.642199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.642199 (E_RNA) where: Base-Base interactions energy: -566.703 where: short stacking energy: -234.190 Base-Backbone interact. energy: -1.368 local terms energy: -265.571594 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -50.770 flat angles C4'-P-C4' energy: -57.218 flat angles P-C4'-P energy: -38.341 tors. eta vs tors. theta energy: -59.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -777.786574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.786574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.786574 (E_RNA) where: Base-Base interactions energy: -536.617 where: short stacking energy: -235.604 Base-Backbone interact. energy: -0.494 local terms energy: -240.675845 where: bonds (distance) C4'-P energy: -38.603 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -52.036 flat angles P-C4'-P energy: -33.812 tors. eta vs tors. theta energy: -60.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -639.313349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.313349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.313349 (E_RNA) where: Base-Base interactions energy: -398.880 where: short stacking energy: -177.042 Base-Backbone interact. energy: -0.307 local terms energy: -240.126416 where: bonds (distance) C4'-P energy: -57.495 bonds (distance) P-C4' energy: -52.520 flat angles C4'-P-C4' energy: -54.761 flat angles P-C4'-P energy: -31.895 tors. eta vs tors. theta energy: -43.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -603.792928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.792928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.792928 (E_RNA) where: Base-Base interactions energy: -407.783 where: short stacking energy: -179.970 Base-Backbone interact. energy: 0.621 local terms energy: -196.630911 where: bonds (distance) C4'-P energy: -48.709 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -35.241 flat angles P-C4'-P energy: -36.023 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -497.420445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.420445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.420445 (E_RNA) where: Base-Base interactions energy: -298.054 where: short stacking energy: -147.846 Base-Backbone interact. energy: 2.762 local terms energy: -202.128569 where: bonds (distance) C4'-P energy: -44.679 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -43.259 flat angles P-C4'-P energy: -39.269 tors. eta vs tors. theta energy: -19.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -504.131686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.131686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.131686 (E_RNA) where: Base-Base interactions energy: -329.506 where: short stacking energy: -151.043 Base-Backbone interact. energy: 0.534 local terms energy: -175.159354 where: bonds (distance) C4'-P energy: -40.150 bonds (distance) P-C4' energy: -47.301 flat angles C4'-P-C4' energy: -44.367 flat angles P-C4'-P energy: -23.970 tors. eta vs tors. theta energy: -19.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1025.675246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.675246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.675246 (E_RNA) where: Base-Base interactions energy: -726.447 where: short stacking energy: -300.539 Base-Backbone interact. energy: -0.843 local terms energy: -298.385624 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -56.507 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -38.956 tors. eta vs tors. theta energy: -85.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1023.704739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.704739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.704739 (E_RNA) where: Base-Base interactions energy: -727.796 where: short stacking energy: -286.496 Base-Backbone interact. energy: -2.100 local terms energy: -293.808708 where: bonds (distance) C4'-P energy: -52.804 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -35.478 tors. eta vs tors. theta energy: -76.654 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: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -998.042766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.042766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.042766 (E_RNA) where: Base-Base interactions energy: -704.957 where: short stacking energy: -278.583 Base-Backbone interact. energy: -2.506 local terms energy: -290.579724 where: bonds (distance) C4'-P energy: -56.328 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -65.218 flat angles P-C4'-P energy: -37.560 tors. eta vs tors. theta energy: -76.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -867.148021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.148021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.148021 (E_RNA) where: Base-Base interactions energy: -601.998 where: short stacking energy: -254.957 Base-Backbone interact. energy: -0.504 local terms energy: -264.646128 where: bonds (distance) C4'-P energy: -48.211 bonds (distance) P-C4' energy: -46.860 flat angles C4'-P-C4' energy: -61.682 flat angles P-C4'-P energy: -41.158 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: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -831.444594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.444594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.444594 (E_RNA) where: Base-Base interactions energy: -566.601 where: short stacking energy: -230.969 Base-Backbone interact. energy: -1.266 local terms energy: -263.577613 where: bonds (distance) C4'-P energy: -54.201 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -56.342 flat angles P-C4'-P energy: -43.878 tors. eta vs tors. theta energy: -53.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -799.032669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.032669 (E_RNA) where: Base-Base interactions energy: -539.140 where: short stacking energy: -239.190 Base-Backbone interact. energy: -0.682 local terms energy: -259.210220 where: bonds (distance) C4'-P energy: -46.810 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -56.365 flat angles P-C4'-P energy: -29.313 tors. eta vs tors. theta energy: -66.932 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: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -640.804995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.804995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.804995 (E_RNA) where: Base-Base interactions energy: -405.674 where: short stacking energy: -196.515 Base-Backbone interact. energy: 2.468 local terms energy: -237.598543 where: bonds (distance) C4'-P energy: -45.830 bonds (distance) P-C4' energy: -53.089 flat angles C4'-P-C4' energy: -53.128 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -40.037 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: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -616.776372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.776372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.776372 (E_RNA) where: Base-Base interactions energy: -399.603 where: short stacking energy: -178.897 Base-Backbone interact. energy: -1.453 local terms energy: -215.719657 where: bonds (distance) C4'-P energy: -51.443 bonds (distance) P-C4' energy: -55.506 flat angles C4'-P-C4' energy: -54.065 flat angles P-C4'-P energy: -17.749 tors. eta vs tors. theta energy: -36.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -490.537546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.537546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.537546 (E_RNA) where: Base-Base interactions energy: -313.305 where: short stacking energy: -143.545 Base-Backbone interact. energy: -0.359 local terms energy: -176.873859 where: bonds (distance) C4'-P energy: -50.112 bonds (distance) P-C4' energy: -50.578 flat angles C4'-P-C4' energy: -40.698 flat angles P-C4'-P energy: -25.743 tors. eta vs tors. theta energy: -9.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -442.679641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.679641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.679641 (E_RNA) where: Base-Base interactions energy: -257.611 where: short stacking energy: -130.971 Base-Backbone interact. energy: -1.891 local terms energy: -183.178003 where: bonds (distance) C4'-P energy: -54.617 bonds (distance) P-C4' energy: -57.689 flat angles C4'-P-C4' energy: -46.641 flat angles P-C4'-P energy: -18.165 tors. eta vs tors. theta energy: -6.067 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: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1033.095069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.095069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.095069 (E_RNA) where: Base-Base interactions energy: -718.196 where: short stacking energy: -302.215 Base-Backbone interact. energy: -1.580 local terms energy: -313.319000 where: bonds (distance) C4'-P energy: -50.958 bonds (distance) P-C4' energy: -54.566 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -88.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1023.442318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.442318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.442318 (E_RNA) where: Base-Base interactions energy: -721.186 where: short stacking energy: -295.797 Base-Backbone interact. energy: 0.017 local terms energy: -302.273190 where: bonds (distance) C4'-P energy: -63.179 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -63.062 flat angles P-C4'-P energy: -50.189 tors. eta vs tors. theta energy: -71.663 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: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -981.686123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.686123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.686123 (E_RNA) where: Base-Base interactions energy: -701.006 where: short stacking energy: -281.420 Base-Backbone interact. energy: -2.004 local terms energy: -278.676345 where: bonds (distance) C4'-P energy: -45.860 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -59.743 flat angles P-C4'-P energy: -39.701 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -896.286137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.286137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.286137 (E_RNA) where: Base-Base interactions energy: -617.033 where: short stacking energy: -260.188 Base-Backbone interact. energy: -0.368 local terms energy: -278.884669 where: bonds (distance) C4'-P energy: -50.301 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -62.664 flat angles P-C4'-P energy: -36.531 tors. eta vs tors. theta energy: -66.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -855.726928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.726928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.726928 (E_RNA) where: Base-Base interactions energy: -592.438 where: short stacking energy: -260.375 Base-Backbone interact. energy: -1.358 local terms energy: -261.931571 where: bonds (distance) C4'-P energy: -44.852 bonds (distance) P-C4' energy: -44.536 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -70.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -801.028558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.028558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.028558 (E_RNA) where: Base-Base interactions energy: -542.888 where: short stacking energy: -254.038 Base-Backbone interact. energy: -0.869 local terms energy: -257.271316 where: bonds (distance) C4'-P energy: -47.653 bonds (distance) P-C4' energy: -46.012 flat angles C4'-P-C4' energy: -59.614 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -64.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -619.257020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.257020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.257020 (E_RNA) where: Base-Base interactions energy: -383.708 where: short stacking energy: -178.487 Base-Backbone interact. energy: -1.528 local terms energy: -234.021220 where: bonds (distance) C4'-P energy: -49.709 bonds (distance) P-C4' energy: -65.261 flat angles C4'-P-C4' energy: -44.041 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -39.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -652.197529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.197529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.197529 (E_RNA) where: Base-Base interactions energy: -403.796 where: short stacking energy: -185.003 Base-Backbone interact. energy: -2.657 local terms energy: -245.745225 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -57.195 flat angles C4'-P-C4' energy: -47.972 flat angles P-C4'-P energy: -37.808 tors. eta vs tors. theta energy: -46.492 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: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -475.105035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.105035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.105035 (E_RNA) where: Base-Base interactions energy: -281.617 where: short stacking energy: -128.692 Base-Backbone interact. energy: 0.200 local terms energy: -193.687861 where: bonds (distance) C4'-P energy: -60.270 bonds (distance) P-C4' energy: -46.212 flat angles C4'-P-C4' energy: -40.785 flat angles P-C4'-P energy: -24.898 tors. eta vs tors. theta energy: -21.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -471.893520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.893520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.893520 (E_RNA) where: Base-Base interactions energy: -287.479 where: short stacking energy: -141.973 Base-Backbone interact. energy: -0.075 local terms energy: -184.339505 where: bonds (distance) C4'-P energy: -42.584 bonds (distance) P-C4' energy: -53.274 flat angles C4'-P-C4' energy: -40.560 flat angles P-C4'-P energy: -29.809 tors. eta vs tors. theta energy: -18.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1056.111345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.111345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.111345 (E_RNA) where: Base-Base interactions energy: -748.562 where: short stacking energy: -287.655 Base-Backbone interact. energy: -3.641 local terms energy: -303.907686 where: bonds (distance) C4'-P energy: -55.469 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -75.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1013.435251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.435251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.435251 (E_RNA) where: Base-Base interactions energy: -712.580 where: short stacking energy: -301.248 Base-Backbone interact. energy: -2.108 local terms energy: -298.747119 where: bonds (distance) C4'-P energy: -55.477 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -37.762 tors. eta vs tors. theta energy: -88.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -964.967497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.967497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.967497 (E_RNA) where: Base-Base interactions energy: -670.730 where: short stacking energy: -283.167 Base-Backbone interact. energy: -1.070 local terms energy: -293.166755 where: bonds (distance) C4'-P energy: -56.879 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -45.917 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: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -912.729629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.729629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.729629 (E_RNA) where: Base-Base interactions energy: -625.142 where: short stacking energy: -267.105 Base-Backbone interact. energy: -1.324 local terms energy: -286.263285 where: bonds (distance) C4'-P energy: -55.992 bonds (distance) P-C4' energy: -53.216 flat angles C4'-P-C4' energy: -65.009 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -73.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -859.158938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.158938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.158938 (E_RNA) where: Base-Base interactions energy: -610.073 where: short stacking energy: -267.578 Base-Backbone interact. energy: 2.083 local terms energy: -251.169201 where: bonds (distance) C4'-P energy: -52.215 bonds (distance) P-C4' energy: -40.319 flat angles C4'-P-C4' energy: -57.065 flat angles P-C4'-P energy: -31.558 tors. eta vs tors. theta energy: -70.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -792.636103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.636103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.636103 (E_RNA) where: Base-Base interactions energy: -518.370 where: short stacking energy: -240.614 Base-Backbone interact. energy: 0.673 local terms energy: -274.939383 where: bonds (distance) C4'-P energy: -52.975 bonds (distance) P-C4' energy: -54.189 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: -64.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -675.197605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.197605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.197605 (E_RNA) where: Base-Base interactions energy: -437.565 where: short stacking energy: -210.479 Base-Backbone interact. energy: -0.715 local terms energy: -236.917438 where: bonds (distance) C4'-P energy: -46.315 bonds (distance) P-C4' energy: -50.804 flat angles C4'-P-C4' energy: -57.407 flat angles P-C4'-P energy: -33.558 tors. eta vs tors. theta energy: -48.834 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: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -585.819671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.819671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.819671 (E_RNA) where: Base-Base interactions energy: -392.672 where: short stacking energy: -189.159 Base-Backbone interact. energy: 0.944 local terms energy: -194.092092 where: bonds (distance) C4'-P energy: -40.826 bonds (distance) P-C4' energy: -57.524 flat angles C4'-P-C4' energy: -48.015 flat angles P-C4'-P energy: -23.182 tors. eta vs tors. theta energy: -24.546 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: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -455.902148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.902148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.902148 (E_RNA) where: Base-Base interactions energy: -281.642 where: short stacking energy: -145.648 Base-Backbone interact. energy: 3.015 local terms energy: -177.275279 where: bonds (distance) C4'-P energy: -36.068 bonds (distance) P-C4' energy: -47.891 flat angles C4'-P-C4' energy: -42.880 flat angles P-C4'-P energy: -31.400 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: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -405.151664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.151664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.151664 (E_RNA) where: Base-Base interactions energy: -229.628 where: short stacking energy: -107.807 Base-Backbone interact. energy: -0.551 local terms energy: -174.972066 where: bonds (distance) C4'-P energy: -36.913 bonds (distance) P-C4' energy: -56.704 flat angles C4'-P-C4' energy: -35.779 flat angles P-C4'-P energy: -29.862 tors. eta vs tors. theta energy: -15.714 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: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1040.420581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.420581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.420581 (E_RNA) where: Base-Base interactions energy: -752.968 where: short stacking energy: -297.453 Base-Backbone interact. energy: -2.307 local terms energy: -285.145703 where: bonds (distance) C4'-P energy: -45.556 bonds (distance) P-C4' energy: -60.607 flat angles C4'-P-C4' energy: -55.908 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -75.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1008.251815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.251815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.251815 (E_RNA) where: Base-Base interactions energy: -688.315 where: short stacking energy: -295.439 Base-Backbone interact. energy: -1.604 local terms energy: -318.332894 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -56.743 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -84.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -984.272797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.272797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.272797 (E_RNA) where: Base-Base interactions energy: -698.644 where: short stacking energy: -285.441 Base-Backbone interact. energy: -3.016 local terms energy: -282.612808 where: bonds (distance) C4'-P energy: -50.210 bonds (distance) P-C4' energy: -51.468 flat angles C4'-P-C4' energy: -62.864 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: -80.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -891.422472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.422472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.422472 (E_RNA) where: Base-Base interactions energy: -615.342 where: short stacking energy: -263.797 Base-Backbone interact. energy: -0.801 local terms energy: -275.279466 where: bonds (distance) C4'-P energy: -54.047 bonds (distance) P-C4' energy: -55.351 flat angles C4'-P-C4' energy: -55.775 flat angles P-C4'-P energy: -37.779 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: 161 Temperature: 1.100000 Total energy: -909.141678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.141678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.141678 (E_RNA) where: Base-Base interactions energy: -624.337 where: short stacking energy: -260.546 Base-Backbone interact. energy: -1.124 local terms energy: -283.680466 where: bonds (distance) C4'-P energy: -52.225 bonds (distance) P-C4' energy: -55.239 flat angles C4'-P-C4' energy: -60.949 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -77.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -816.897358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.897358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.897358 (E_RNA) where: Base-Base interactions energy: -569.372 where: short stacking energy: -253.213 Base-Backbone interact. energy: 3.414 local terms energy: -250.939602 where: bonds (distance) C4'-P energy: -44.390 bonds (distance) P-C4' energy: -50.696 flat angles C4'-P-C4' energy: -56.519 flat angles P-C4'-P energy: -29.697 tors. eta vs tors. theta energy: -69.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -669.013791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.013791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.013791 (E_RNA) where: Base-Base interactions energy: -431.164 where: short stacking energy: -192.601 Base-Backbone interact. energy: -1.750 local terms energy: -236.099586 where: bonds (distance) C4'-P energy: -39.921 bonds (distance) P-C4' energy: -63.719 flat angles C4'-P-C4' energy: -49.654 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -44.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -543.924048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.924048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.924048 (E_RNA) where: Base-Base interactions energy: -348.656 where: short stacking energy: -168.566 Base-Backbone interact. energy: -0.835 local terms energy: -194.432907 where: bonds (distance) C4'-P energy: -41.135 bonds (distance) P-C4' energy: -37.147 flat angles C4'-P-C4' energy: -41.245 flat angles P-C4'-P energy: -36.902 tors. eta vs tors. theta energy: -38.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -544.005300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.005300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.005300 (E_RNA) where: Base-Base interactions energy: -342.026 where: short stacking energy: -149.559 Base-Backbone interact. energy: -0.683 local terms energy: -201.296209 where: bonds (distance) C4'-P energy: -44.257 bonds (distance) P-C4' energy: -50.485 flat angles C4'-P-C4' energy: -49.389 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: -25.121 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: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -400.883788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.883788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.883788 (E_RNA) where: Base-Base interactions energy: -234.669 where: short stacking energy: -104.089 Base-Backbone interact. energy: 1.702 local terms energy: -167.916667 where: bonds (distance) C4'-P energy: -47.709 bonds (distance) P-C4' energy: -57.651 flat angles C4'-P-C4' energy: -33.250 flat angles P-C4'-P energy: -29.897 tors. eta vs tors. theta energy: 0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1050.876213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.876213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.876213 (E_RNA) where: Base-Base interactions energy: -748.206 where: short stacking energy: -302.537 Base-Backbone interact. energy: 0.032 local terms energy: -302.702358 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -51.007 flat angles C4'-P-C4' energy: -68.399 flat angles P-C4'-P energy: -46.243 tors. eta vs tors. theta energy: -82.208 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: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1025.598740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.598740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.598740 (E_RNA) where: Base-Base interactions energy: -725.010 where: short stacking energy: -295.001 Base-Backbone interact. energy: -2.433 local terms energy: -298.155955 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -62.983 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -85.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -973.672333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.672333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.672333 (E_RNA) where: Base-Base interactions energy: -696.161 where: short stacking energy: -286.264 Base-Backbone interact. energy: 2.957 local terms energy: -280.468693 where: bonds (distance) C4'-P energy: -49.412 bonds (distance) P-C4' energy: -49.160 flat angles C4'-P-C4' energy: -61.406 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -75.689 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: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -873.275162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.275162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.275162 (E_RNA) where: Base-Base interactions energy: -601.868 where: short stacking energy: -257.147 Base-Backbone interact. energy: 2.659 local terms energy: -274.066254 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -49.870 flat angles C4'-P-C4' energy: -60.247 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -66.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -880.743832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.743832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.743832 (E_RNA) where: Base-Base interactions energy: -600.946 where: short stacking energy: -253.773 Base-Backbone interact. energy: -1.671 local terms energy: -278.127209 where: bonds (distance) C4'-P energy: -48.060 bonds (distance) P-C4' energy: -56.022 flat angles C4'-P-C4' energy: -59.314 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -76.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -857.215063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.215063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.215063 (E_RNA) where: Base-Base interactions energy: -586.374 where: short stacking energy: -256.979 Base-Backbone interact. energy: -0.292 local terms energy: -270.549481 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -48.451 flat angles C4'-P-C4' energy: -59.373 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -72.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -674.106942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.106942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.106942 (E_RNA) where: Base-Base interactions energy: -438.012 where: short stacking energy: -199.509 Base-Backbone interact. energy: -0.525 local terms energy: -235.570151 where: bonds (distance) C4'-P energy: -42.204 bonds (distance) P-C4' energy: -41.845 flat angles C4'-P-C4' energy: -55.693 flat angles P-C4'-P energy: -39.904 tors. eta vs tors. theta energy: -55.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -528.498594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.498594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.498594 (E_RNA) where: Base-Base interactions energy: -319.552 where: short stacking energy: -168.352 Base-Backbone interact. energy: 0.013 local terms energy: -208.959221 where: bonds (distance) C4'-P energy: -37.507 bonds (distance) P-C4' energy: -51.895 flat angles C4'-P-C4' energy: -50.200 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -36.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -540.095062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.095062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.095062 (E_RNA) where: Base-Base interactions energy: -345.879 where: short stacking energy: -171.804 Base-Backbone interact. energy: 3.345 local terms energy: -197.561056 where: bonds (distance) C4'-P energy: -45.019 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -46.201 flat angles P-C4'-P energy: -12.407 tors. eta vs tors. theta energy: -34.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -415.342365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.342365 (E_RNA) where: Base-Base interactions energy: -247.811 where: short stacking energy: -129.229 Base-Backbone interact. energy: -0.886 local terms energy: -166.644853 where: bonds (distance) C4'-P energy: -45.504 bonds (distance) P-C4' energy: -44.381 flat angles C4'-P-C4' energy: -43.967 flat angles P-C4'-P energy: -18.604 tors. eta vs tors. theta energy: -14.188 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: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1056.823914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.823914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.823914 (E_RNA) where: Base-Base interactions energy: -764.857 where: short stacking energy: -302.493 Base-Backbone interact. energy: -1.567 local terms energy: -290.399782 where: bonds (distance) C4'-P energy: -57.409 bonds (distance) P-C4' energy: -59.419 flat angles C4'-P-C4' energy: -59.214 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: -81.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -998.698512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.698512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.698512 (E_RNA) where: Base-Base interactions energy: -711.110 where: short stacking energy: -286.719 Base-Backbone interact. energy: -2.311 local terms energy: -285.277400 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -57.652 flat angles C4'-P-C4' energy: -60.458 flat angles P-C4'-P energy: -39.096 tors. eta vs tors. theta energy: -71.723 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: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -983.188298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.188298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.188298 (E_RNA) where: Base-Base interactions energy: -672.078 where: short stacking energy: -284.913 Base-Backbone interact. energy: -2.793 local terms energy: -308.317369 where: bonds (distance) C4'-P energy: -60.779 bonds (distance) P-C4' energy: -55.114 flat angles C4'-P-C4' energy: -64.000 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -79.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -870.177555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.177555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.177555 (E_RNA) where: Base-Base interactions energy: -577.106 where: short stacking energy: -255.335 Base-Backbone interact. energy: -0.531 local terms energy: -292.540644 where: bonds (distance) C4'-P energy: -59.205 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -58.496 flat angles P-C4'-P energy: -35.565 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: 5, replica: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -852.124346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.124346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.124346 (E_RNA) where: Base-Base interactions energy: -587.876 where: short stacking energy: -229.767 Base-Backbone interact. energy: -2.520 local terms energy: -261.727398 where: bonds (distance) C4'-P energy: -50.116 bonds (distance) P-C4' energy: -61.542 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -35.779 tors. eta vs tors. theta energy: -58.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -833.756865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.756865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.756865 (E_RNA) where: Base-Base interactions energy: -577.425 where: short stacking energy: -236.373 Base-Backbone interact. energy: 0.210 local terms energy: -256.541910 where: bonds (distance) C4'-P energy: -47.110 bonds (distance) P-C4' energy: -61.074 flat angles C4'-P-C4' energy: -51.588 flat angles P-C4'-P energy: -29.621 tors. eta vs tors. theta energy: -67.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -682.763048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.763048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.763048 (E_RNA) where: Base-Base interactions energy: -425.279 where: short stacking energy: -205.179 Base-Backbone interact. energy: 0.935 local terms energy: -258.418688 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -51.840 flat angles C4'-P-C4' energy: -60.636 flat angles P-C4'-P energy: -30.308 tors. eta vs tors. theta energy: -58.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -569.722364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.722364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.722364 (E_RNA) where: Base-Base interactions energy: -360.676 where: short stacking energy: -168.420 Base-Backbone interact. energy: 2.148 local terms energy: -211.194362 where: bonds (distance) C4'-P energy: -50.205 bonds (distance) P-C4' energy: -53.019 flat angles C4'-P-C4' energy: -56.204 flat angles P-C4'-P energy: -22.723 tors. eta vs tors. theta energy: -29.043 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: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -501.781965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.781965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.781965 (E_RNA) where: Base-Base interactions energy: -306.519 where: short stacking energy: -137.763 Base-Backbone interact. energy: -0.932 local terms energy: -194.330960 where: bonds (distance) C4'-P energy: -40.189 bonds (distance) P-C4' energy: -55.931 flat angles C4'-P-C4' energy: -49.702 flat angles P-C4'-P energy: -26.579 tors. eta vs tors. theta energy: -21.930 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: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -417.422787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.422787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.422787 (E_RNA) where: Base-Base interactions energy: -240.537 where: short stacking energy: -118.188 Base-Backbone interact. energy: 3.455 local terms energy: -180.341138 where: bonds (distance) C4'-P energy: -50.670 bonds (distance) P-C4' energy: -50.336 flat angles C4'-P-C4' energy: -43.995 flat angles P-C4'-P energy: -22.178 tors. eta vs tors. theta energy: -13.162 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: 4 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1064.753278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.753278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.753278 (E_RNA) where: Base-Base interactions energy: -754.556 where: short stacking energy: -298.710 Base-Backbone interact. energy: -0.532 local terms energy: -309.665160 where: bonds (distance) C4'-P energy: -59.074 bonds (distance) P-C4' energy: -60.310 flat angles C4'-P-C4' energy: -65.453 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -84.832 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: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1003.141523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.141523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.141523 (E_RNA) where: Base-Base interactions energy: -701.068 where: short stacking energy: -289.764 Base-Backbone interact. energy: 0.757 local terms energy: -302.830963 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -53.501 flat angles C4'-P-C4' energy: -65.868 flat angles P-C4'-P energy: -41.708 tors. eta vs tors. theta energy: -81.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -984.244701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.244701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.244701 (E_RNA) where: Base-Base interactions energy: -681.051 where: short stacking energy: -281.019 Base-Backbone interact. energy: -2.202 local terms energy: -300.992260 where: bonds (distance) C4'-P energy: -51.470 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -65.431 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -82.490 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: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -874.848542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.848542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.848542 (E_RNA) where: Base-Base interactions energy: -591.311 where: short stacking energy: -264.509 Base-Backbone interact. energy: -0.143 local terms energy: -283.394611 where: bonds (distance) C4'-P energy: -48.342 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -61.291 flat angles P-C4'-P energy: -40.471 tors. eta vs tors. theta energy: -73.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -887.156499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.156499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.156499 (E_RNA) where: Base-Base interactions energy: -627.629 where: short stacking energy: -262.519 Base-Backbone interact. energy: -1.564 local terms energy: -257.963955 where: bonds (distance) C4'-P energy: -37.412 bonds (distance) P-C4' energy: -57.290 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -38.884 tors. eta vs tors. theta energy: -65.755 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: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -844.145966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.145966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.145966 (E_RNA) where: Base-Base interactions energy: -590.303 where: short stacking energy: -249.998 Base-Backbone interact. energy: 0.181 local terms energy: -254.024007 where: bonds (distance) C4'-P energy: -47.909 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -55.920 flat angles P-C4'-P energy: -28.538 tors. eta vs tors. theta energy: -65.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -632.468587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.468587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.468587 (E_RNA) where: Base-Base interactions energy: -398.346 where: short stacking energy: -196.403 Base-Backbone interact. energy: -3.211 local terms energy: -230.910962 where: bonds (distance) C4'-P energy: -42.143 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -56.532 flat angles P-C4'-P energy: -33.205 tors. eta vs tors. theta energy: -41.570 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: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -647.584032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.584032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.584032 (E_RNA) where: Base-Base interactions energy: -419.438 where: short stacking energy: -201.244 Base-Backbone interact. energy: -1.044 local terms energy: -227.101742 where: bonds (distance) C4'-P energy: -50.814 bonds (distance) P-C4' energy: -53.064 flat angles C4'-P-C4' energy: -55.328 flat angles P-C4'-P energy: -26.476 tors. eta vs tors. theta energy: -41.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -495.567643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.567643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.567643 (E_RNA) where: Base-Base interactions energy: -300.078 where: short stacking energy: -152.904 Base-Backbone interact. energy: -0.223 local terms energy: -195.267306 where: bonds (distance) C4'-P energy: -49.643 bonds (distance) P-C4' energy: -48.451 flat angles C4'-P-C4' energy: -37.154 flat angles P-C4'-P energy: -29.663 tors. eta vs tors. theta energy: -30.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -418.683253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.683253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.683253 (E_RNA) where: Base-Base interactions energy: -256.848 where: short stacking energy: -126.122 Base-Backbone interact. energy: 1.552 local terms energy: -163.387119 where: bonds (distance) C4'-P energy: -34.299 bonds (distance) P-C4' energy: -53.529 flat angles C4'-P-C4' energy: -44.369 flat angles P-C4'-P energy: -19.762 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1055.807406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.807406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.807406 (E_RNA) where: Base-Base interactions energy: -750.070 where: short stacking energy: -298.314 Base-Backbone interact. energy: -1.708 local terms energy: -304.029323 where: bonds (distance) C4'-P energy: -55.354 bonds (distance) P-C4' energy: -55.771 flat angles C4'-P-C4' energy: -62.338 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -84.160 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1007.554499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.554499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.554499 (E_RNA) where: Base-Base interactions energy: -702.536 where: short stacking energy: -303.706 Base-Backbone interact. energy: -0.979 local terms energy: -304.039513 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -57.722 flat angles P-C4'-P energy: -39.547 tors. eta vs tors. theta energy: -84.887 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: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -982.950871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.950871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.950871 (E_RNA) where: Base-Base interactions energy: -690.796 where: short stacking energy: -277.474 Base-Backbone interact. energy: 1.727 local terms energy: -293.881057 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -63.719 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: -77.577 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: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -908.209273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.209273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.209273 (E_RNA) where: Base-Base interactions energy: -629.346 where: short stacking energy: -258.802 Base-Backbone interact. energy: -1.269 local terms energy: -277.594630 where: bonds (distance) C4'-P energy: -52.045 bonds (distance) P-C4' energy: -51.034 flat angles C4'-P-C4' energy: -63.598 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -70.534 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: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -859.796118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.796118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.796118 (E_RNA) where: Base-Base interactions energy: -573.308 where: short stacking energy: -239.797 Base-Backbone interact. energy: -1.005 local terms energy: -285.482637 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -46.564 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -45.044 tors. eta vs tors. theta energy: -75.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -810.699142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.699142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.699142 (E_RNA) where: Base-Base interactions energy: -551.247 where: short stacking energy: -229.778 Base-Backbone interact. energy: -2.400 local terms energy: -257.052084 where: bonds (distance) C4'-P energy: -53.401 bonds (distance) P-C4' energy: -50.833 flat angles C4'-P-C4' energy: -52.958 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -63.533 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: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -615.471666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.471666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.471666 (E_RNA) where: Base-Base interactions energy: -404.062 where: short stacking energy: -205.034 Base-Backbone interact. energy: 0.050 local terms energy: -211.459706 where: bonds (distance) C4'-P energy: -46.229 bonds (distance) P-C4' energy: -47.256 flat angles C4'-P-C4' energy: -56.112 flat angles P-C4'-P energy: -19.835 tors. eta vs tors. theta energy: -42.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -617.202425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.202425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.202425 (E_RNA) where: Base-Base interactions energy: -400.683 where: short stacking energy: -181.190 Base-Backbone interact. energy: -0.401 local terms energy: -216.118521 where: bonds (distance) C4'-P energy: -42.785 bonds (distance) P-C4' energy: -44.661 flat angles C4'-P-C4' energy: -54.428 flat angles P-C4'-P energy: -39.641 tors. eta vs tors. theta energy: -34.603 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: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -493.167879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.167879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.167879 (E_RNA) where: Base-Base interactions energy: -298.372 where: short stacking energy: -152.204 Base-Backbone interact. energy: 1.716 local terms energy: -196.512070 where: bonds (distance) C4'-P energy: -44.400 bonds (distance) P-C4' energy: -49.220 flat angles C4'-P-C4' energy: -54.000 flat angles P-C4'-P energy: -27.476 tors. eta vs tors. theta energy: -21.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -413.213082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.213082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.213082 (E_RNA) where: Base-Base interactions energy: -232.348 where: short stacking energy: -120.883 Base-Backbone interact. energy: -0.455 local terms energy: -180.410376 where: bonds (distance) C4'-P energy: -44.541 bonds (distance) P-C4' energy: -41.751 flat angles C4'-P-C4' energy: -48.854 flat angles P-C4'-P energy: -31.722 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: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1017.183814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.183814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.183814 (E_RNA) where: Base-Base interactions energy: -695.021 where: short stacking energy: -315.814 Base-Backbone interact. energy: 0.254 local terms energy: -322.417398 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -60.860 flat angles C4'-P-C4' energy: -68.350 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: -87.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1033.990390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.990390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.990390 (E_RNA) where: Base-Base interactions energy: -730.928 where: short stacking energy: -290.059 Base-Backbone interact. energy: -2.747 local terms energy: -300.315488 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -52.574 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: -80.241 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: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -992.624479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.624479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.624479 (E_RNA) where: Base-Base interactions energy: -714.064 where: short stacking energy: -278.756 Base-Backbone interact. energy: -2.326 local terms energy: -276.234520 where: bonds (distance) C4'-P energy: -50.118 bonds (distance) P-C4' energy: -49.781 flat angles C4'-P-C4' energy: -54.623 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: -78.722 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: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -919.661814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.661814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.661814 (E_RNA) where: Base-Base interactions energy: -650.692 where: short stacking energy: -255.540 Base-Backbone interact. energy: -0.149 local terms energy: -268.821072 where: bonds (distance) C4'-P energy: -50.848 bonds (distance) P-C4' energy: -47.729 flat angles C4'-P-C4' energy: -61.091 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -65.670 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -859.031553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.031553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.031553 (E_RNA) where: Base-Base interactions energy: -571.480 where: short stacking energy: -251.223 Base-Backbone interact. energy: 2.813 local terms energy: -290.364039 where: bonds (distance) C4'-P energy: -48.036 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -49.247 tors. eta vs tors. theta energy: -75.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -811.611793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.611793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.611793 (E_RNA) where: Base-Base interactions energy: -564.612 where: short stacking energy: -224.815 Base-Backbone interact. energy: 1.538 local terms energy: -248.537367 where: bonds (distance) C4'-P energy: -43.014 bonds (distance) P-C4' energy: -50.459 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -40.863 tors. eta vs tors. theta energy: -50.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -657.071926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.071926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.071926 (E_RNA) where: Base-Base interactions energy: -433.559 where: short stacking energy: -187.167 Base-Backbone interact. energy: -1.322 local terms energy: -222.190280 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -42.728 flat angles C4'-P-C4' energy: -56.133 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: -38.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -595.877326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.877326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.877326 (E_RNA) where: Base-Base interactions energy: -369.036 where: short stacking energy: -175.271 Base-Backbone interact. energy: 0.711 local terms energy: -227.552422 where: bonds (distance) C4'-P energy: -45.452 bonds (distance) P-C4' energy: -53.964 flat angles C4'-P-C4' energy: -53.662 flat angles P-C4'-P energy: -33.632 tors. eta vs tors. theta energy: -40.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -494.468521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.468521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.468521 (E_RNA) where: Base-Base interactions energy: -282.809 where: short stacking energy: -151.428 Base-Backbone interact. energy: 1.625 local terms energy: -213.284193 where: bonds (distance) C4'-P energy: -55.610 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -44.456 flat angles P-C4'-P energy: -36.549 tors. eta vs tors. theta energy: -19.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -432.491071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.491071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.491071 (E_RNA) where: Base-Base interactions energy: -244.418 where: short stacking energy: -106.170 Base-Backbone interact. energy: -0.267 local terms energy: -187.806101 where: bonds (distance) C4'-P energy: -45.663 bonds (distance) P-C4' energy: -52.012 flat angles C4'-P-C4' energy: -54.821 flat angles P-C4'-P energy: -24.174 tors. eta vs tors. theta energy: -11.136 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1016.259483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.259483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.259483 (E_RNA) where: Base-Base interactions energy: -699.831 where: short stacking energy: -312.680 Base-Backbone interact. energy: -0.866 local terms energy: -315.562388 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -88.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1036.925279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.925279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.925279 (E_RNA) where: Base-Base interactions energy: -738.135 where: short stacking energy: -312.831 Base-Backbone interact. energy: -1.504 local terms energy: -297.285843 where: bonds (distance) C4'-P energy: -53.819 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -58.599 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -83.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -961.809568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.809568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.809568 (E_RNA) where: Base-Base interactions energy: -675.428 where: short stacking energy: -285.029 Base-Backbone interact. energy: -1.187 local terms energy: -285.194521 where: bonds (distance) C4'-P energy: -56.669 bonds (distance) P-C4' energy: -53.488 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -34.897 tors. eta vs tors. theta energy: -78.436 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: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -905.940711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.940711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.940711 (E_RNA) where: Base-Base interactions energy: -634.203 where: short stacking energy: -243.104 Base-Backbone interact. energy: 2.075 local terms energy: -273.812386 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -57.476 flat angles P-C4'-P energy: -34.479 tors. eta vs tors. theta energy: -63.852 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: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -855.404975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.404975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.404975 (E_RNA) where: Base-Base interactions energy: -571.031 where: short stacking energy: -268.495 Base-Backbone interact. energy: -0.593 local terms energy: -283.781399 where: bonds (distance) C4'-P energy: -51.484 bonds (distance) P-C4' energy: -55.090 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -36.796 tors. eta vs tors. theta energy: -79.061 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: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -828.283129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.283129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.283129 (E_RNA) where: Base-Base interactions energy: -572.920 where: short stacking energy: -244.669 Base-Backbone interact. energy: -0.504 local terms energy: -254.858982 where: bonds (distance) C4'-P energy: -54.562 bonds (distance) P-C4' energy: -56.811 flat angles C4'-P-C4' energy: -48.925 flat angles P-C4'-P energy: -33.638 tors. eta vs tors. theta energy: -60.924 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: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -622.773880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.773880 (E_RNA) where: Base-Base interactions energy: -404.860 where: short stacking energy: -207.610 Base-Backbone interact. energy: -0.568 local terms energy: -217.345431 where: bonds (distance) C4'-P energy: -47.968 bonds (distance) P-C4' energy: -43.367 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: -44.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -518.020606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.020606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.020606 (E_RNA) where: Base-Base interactions energy: -306.817 where: short stacking energy: -160.459 Base-Backbone interact. energy: 3.871 local terms energy: -215.073988 where: bonds (distance) C4'-P energy: -46.070 bonds (distance) P-C4' energy: -50.507 flat angles C4'-P-C4' energy: -40.181 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: -35.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -571.086204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.086204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.086204 (E_RNA) where: Base-Base interactions energy: -353.279 where: short stacking energy: -159.866 Base-Backbone interact. energy: -1.001 local terms energy: -216.805811 where: bonds (distance) C4'-P energy: -58.514 bonds (distance) P-C4' energy: -38.106 flat angles C4'-P-C4' energy: -58.085 flat angles P-C4'-P energy: -31.882 tors. eta vs tors. theta energy: -30.218 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: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -414.410026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.410026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.410026 (E_RNA) where: Base-Base interactions energy: -230.661 where: short stacking energy: -114.418 Base-Backbone interact. energy: -0.019 local terms energy: -183.729252 where: bonds (distance) C4'-P energy: -46.012 bonds (distance) P-C4' energy: -53.355 flat angles C4'-P-C4' energy: -42.828 flat angles P-C4'-P energy: -30.884 tors. eta vs tors. theta energy: -10.650 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: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1056.285471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.285471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.285471 (E_RNA) where: Base-Base interactions energy: -743.903 where: short stacking energy: -315.479 Base-Backbone interact. energy: -0.516 local terms energy: -311.866445 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -53.525 flat angles C4'-P-C4' energy: -71.639 flat angles P-C4'-P energy: -41.836 tors. eta vs tors. theta energy: -86.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -991.521349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.521349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.521349 (E_RNA) where: Base-Base interactions energy: -682.701 where: short stacking energy: -291.314 Base-Backbone interact. energy: -0.191 local terms energy: -308.629213 where: bonds (distance) C4'-P energy: -52.516 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -68.258 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -88.397 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: 168 Temperature: 1.000000 Total energy: -956.521062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.521062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.521062 (E_RNA) where: Base-Base interactions energy: -669.125 where: short stacking energy: -259.984 Base-Backbone interact. energy: 0.111 local terms energy: -287.507468 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: -77.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -907.475646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.475646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.475646 (E_RNA) where: Base-Base interactions energy: -631.706 where: short stacking energy: -259.456 Base-Backbone interact. energy: -1.565 local terms energy: -274.203798 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -52.252 flat angles C4'-P-C4' energy: -53.345 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -65.916 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: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -857.154036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.154036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.154036 (E_RNA) where: Base-Base interactions energy: -582.180 where: short stacking energy: -244.546 Base-Backbone interact. energy: -1.050 local terms energy: -273.924146 where: bonds (distance) C4'-P energy: -52.307 bonds (distance) P-C4' energy: -52.426 flat angles C4'-P-C4' energy: -63.938 flat angles P-C4'-P energy: -34.616 tors. eta vs tors. theta energy: -70.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -777.766197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.766197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.766197 (E_RNA) where: Base-Base interactions energy: -523.400 where: short stacking energy: -225.605 Base-Backbone interact. energy: -1.206 local terms energy: -253.160574 where: bonds (distance) C4'-P energy: -56.313 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -54.699 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: -54.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -633.599050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.599050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.599050 (E_RNA) where: Base-Base interactions energy: -403.267 where: short stacking energy: -181.742 Base-Backbone interact. energy: -1.095 local terms energy: -229.237399 where: bonds (distance) C4'-P energy: -41.151 bonds (distance) P-C4' energy: -50.181 flat angles C4'-P-C4' energy: -49.893 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -43.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -536.378343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.378343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.378343 (E_RNA) where: Base-Base interactions energy: -312.278 where: short stacking energy: -152.420 Base-Backbone interact. energy: 0.595 local terms energy: -224.695440 where: bonds (distance) C4'-P energy: -45.073 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -60.254 flat angles P-C4'-P energy: -27.980 tors. eta vs tors. theta energy: -28.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -453.191282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.191282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.191282 (E_RNA) where: Base-Base interactions energy: -260.987 where: short stacking energy: -127.097 Base-Backbone interact. energy: -1.600 local terms energy: -190.604636 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -43.040 flat angles P-C4'-P energy: -18.317 tors. eta vs tors. theta energy: -19.714 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: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -511.655833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.655833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.655833 (E_RNA) where: Base-Base interactions energy: -331.253 where: short stacking energy: -156.270 Base-Backbone interact. energy: 2.354 local terms energy: -182.757060 where: bonds (distance) C4'-P energy: -43.048 bonds (distance) P-C4' energy: -47.725 flat angles C4'-P-C4' energy: -44.194 flat angles P-C4'-P energy: -17.368 tors. eta vs tors. theta energy: -30.422 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: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1077.311264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.311264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.311264 (E_RNA) where: Base-Base interactions energy: -744.806 where: short stacking energy: -313.956 Base-Backbone interact. energy: -2.442 local terms energy: -330.063154 where: bonds (distance) C4'-P energy: -62.807 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -45.728 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: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1004.253577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.253577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.253577 (E_RNA) where: Base-Base interactions energy: -684.731 where: short stacking energy: -292.389 Base-Backbone interact. energy: -0.981 local terms energy: -318.541397 where: bonds (distance) C4'-P energy: -53.505 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -63.445 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -89.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -972.516897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.516897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.516897 (E_RNA) where: Base-Base interactions energy: -682.554 where: short stacking energy: -284.404 Base-Backbone interact. energy: -0.908 local terms energy: -289.055129 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -48.088 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -81.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -898.603071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.603071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.603071 (E_RNA) where: Base-Base interactions energy: -639.980 where: short stacking energy: -258.039 Base-Backbone interact. energy: -3.694 local terms energy: -254.929550 where: bonds (distance) C4'-P energy: -51.253 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -48.133 flat angles P-C4'-P energy: -29.136 tors. eta vs tors. theta energy: -68.271 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: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -869.990481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.990481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.990481 (E_RNA) where: Base-Base interactions energy: -602.481 where: short stacking energy: -264.412 Base-Backbone interact. energy: -2.398 local terms energy: -265.111434 where: bonds (distance) C4'-P energy: -39.435 bonds (distance) P-C4' energy: -59.284 flat angles C4'-P-C4' energy: -58.538 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -70.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -800.249016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.249016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.249016 (E_RNA) where: Base-Base interactions energy: -541.421 where: short stacking energy: -243.806 Base-Backbone interact. energy: -0.892 local terms energy: -257.935790 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -55.099 flat angles C4'-P-C4' energy: -53.546 flat angles P-C4'-P energy: -34.768 tors. eta vs tors. theta energy: -59.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -664.564606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.564606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.564606 (E_RNA) where: Base-Base interactions energy: -424.790 where: short stacking energy: -205.040 Base-Backbone interact. energy: -1.020 local terms energy: -238.755167 where: bonds (distance) C4'-P energy: -56.270 bonds (distance) P-C4' energy: -50.474 flat angles C4'-P-C4' energy: -51.144 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -41.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -500.128751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.128751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.128751 (E_RNA) where: Base-Base interactions energy: -290.498 where: short stacking energy: -142.171 Base-Backbone interact. energy: 1.080 local terms energy: -210.711124 where: bonds (distance) C4'-P energy: -52.548 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -45.670 flat angles P-C4'-P energy: -25.954 tors. eta vs tors. theta energy: -19.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -428.138094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.138094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.138094 (E_RNA) where: Base-Base interactions energy: -259.078 where: short stacking energy: -108.383 Base-Backbone interact. energy: -0.254 local terms energy: -168.806333 where: bonds (distance) C4'-P energy: -38.093 bonds (distance) P-C4' energy: -47.519 flat angles C4'-P-C4' energy: -50.441 flat angles P-C4'-P energy: -26.235 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -478.355687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.355687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.355687 (E_RNA) where: Base-Base interactions energy: -313.061 where: short stacking energy: -139.297 Base-Backbone interact. energy: -1.519 local terms energy: -163.775942 where: bonds (distance) C4'-P energy: -34.634 bonds (distance) P-C4' energy: -49.521 flat angles C4'-P-C4' energy: -40.495 flat angles P-C4'-P energy: -25.569 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1011.558391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.558391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.558391 (E_RNA) where: Base-Base interactions energy: -697.684 where: short stacking energy: -311.590 Base-Backbone interact. energy: -1.341 local terms energy: -312.533849 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -59.450 flat angles C4'-P-C4' energy: -62.602 flat angles P-C4'-P energy: -37.844 tors. eta vs tors. theta energy: -93.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1044.138471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.138471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.138471 (E_RNA) where: Base-Base interactions energy: -740.289 where: short stacking energy: -306.882 Base-Backbone interact. energy: -0.439 local terms energy: -303.410566 where: bonds (distance) C4'-P energy: -55.750 bonds (distance) P-C4' energy: -48.839 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -89.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -942.811832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.811832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.811832 (E_RNA) where: Base-Base interactions energy: -647.597 where: short stacking energy: -267.655 Base-Backbone interact. energy: -1.344 local terms energy: -293.871121 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -55.233 flat angles C4'-P-C4' energy: -65.488 flat angles P-C4'-P energy: -45.270 tors. eta vs tors. theta energy: -72.780 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: 170 Temperature: 1.050000 Total energy: -913.541713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.541713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.541713 (E_RNA) where: Base-Base interactions energy: -644.915 where: short stacking energy: -271.784 Base-Backbone interact. energy: -1.255 local terms energy: -267.372191 where: bonds (distance) C4'-P energy: -51.121 bonds (distance) P-C4' energy: -54.505 flat angles C4'-P-C4' energy: -62.997 flat angles P-C4'-P energy: -29.780 tors. eta vs tors. theta energy: -68.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -896.897328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.897328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.897328 (E_RNA) where: Base-Base interactions energy: -612.004 where: short stacking energy: -268.943 Base-Backbone interact. energy: -1.818 local terms energy: -283.074723 where: bonds (distance) C4'-P energy: -47.776 bonds (distance) P-C4' energy: -55.903 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -82.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -780.774572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.774572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.774572 (E_RNA) where: Base-Base interactions energy: -533.514 where: short stacking energy: -222.868 Base-Backbone interact. energy: 1.470 local terms energy: -248.731419 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -49.501 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -29.718 tors. eta vs tors. theta energy: -58.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -627.658615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.658615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.658615 (E_RNA) where: Base-Base interactions energy: -432.829 where: short stacking energy: -188.004 Base-Backbone interact. energy: 1.644 local terms energy: -196.472869 where: bonds (distance) C4'-P energy: -39.496 bonds (distance) P-C4' energy: -50.801 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -23.116 tors. eta vs tors. theta energy: -27.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -526.318463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.318463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.318463 (E_RNA) where: Base-Base interactions energy: -303.371 where: short stacking energy: -133.442 Base-Backbone interact. energy: -1.185 local terms energy: -221.762528 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -45.429 flat angles P-C4'-P energy: -28.608 tors. eta vs tors. theta energy: -28.847 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: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -483.846273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.846273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.846273 (E_RNA) where: Base-Base interactions energy: -289.468 where: short stacking energy: -158.797 Base-Backbone interact. energy: -0.977 local terms energy: -193.401242 where: bonds (distance) C4'-P energy: -44.452 bonds (distance) P-C4' energy: -50.616 flat angles C4'-P-C4' energy: -45.134 flat angles P-C4'-P energy: -27.769 tors. eta vs tors. theta energy: -25.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -443.840816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.840816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.840816 (E_RNA) where: Base-Base interactions energy: -266.178 where: short stacking energy: -125.013 Base-Backbone interact. energy: -0.708 local terms energy: -176.955428 where: bonds (distance) C4'-P energy: -46.342 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -37.247 flat angles P-C4'-P energy: -27.334 tors. eta vs tors. theta energy: -12.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1014.669647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.669647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.669647 (E_RNA) where: Base-Base interactions energy: -703.050 where: short stacking energy: -303.935 Base-Backbone interact. energy: -1.278 local terms energy: -310.342373 where: bonds (distance) C4'-P energy: -49.031 bonds (distance) P-C4' energy: -60.373 flat angles C4'-P-C4' energy: -67.085 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -88.250 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: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1033.800093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.800093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.800093 (E_RNA) where: Base-Base interactions energy: -725.173 where: short stacking energy: -294.763 Base-Backbone interact. energy: -1.167 local terms energy: -307.460680 where: bonds (distance) C4'-P energy: -58.687 bonds (distance) P-C4' energy: -59.425 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -84.379 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: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -920.029328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.029328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.029328 (E_RNA) where: Base-Base interactions energy: -645.625 where: short stacking energy: -280.286 Base-Backbone interact. energy: -1.228 local terms energy: -273.175973 where: bonds (distance) C4'-P energy: -48.484 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -54.511 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -71.562 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: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -922.420997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.420997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.420997 (E_RNA) where: Base-Base interactions energy: -625.189 where: short stacking energy: -272.213 Base-Backbone interact. energy: -1.238 local terms energy: -295.993809 where: bonds (distance) C4'-P energy: -51.529 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -59.931 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -77.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -885.716090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.716090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.716090 (E_RNA) where: Base-Base interactions energy: -625.731 where: short stacking energy: -250.308 Base-Backbone interact. energy: -2.401 local terms energy: -257.584218 where: bonds (distance) C4'-P energy: -50.131 bonds (distance) P-C4' energy: -49.957 flat angles C4'-P-C4' energy: -53.189 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -70.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -796.373167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.373167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.373167 (E_RNA) where: Base-Base interactions energy: -535.434 where: short stacking energy: -231.620 Base-Backbone interact. energy: -0.475 local terms energy: -260.463713 where: bonds (distance) C4'-P energy: -50.651 bonds (distance) P-C4' energy: -67.991 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -48.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -652.884222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.884222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.884222 (E_RNA) where: Base-Base interactions energy: -425.808 where: short stacking energy: -195.115 Base-Backbone interact. energy: 0.278 local terms energy: -227.354451 where: bonds (distance) C4'-P energy: -41.469 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -53.718 flat angles P-C4'-P energy: -32.263 tors. eta vs tors. theta energy: -44.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -499.444927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.444927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.444927 (E_RNA) where: Base-Base interactions energy: -307.545 where: short stacking energy: -171.105 Base-Backbone interact. energy: 0.233 local terms energy: -192.132872 where: bonds (distance) C4'-P energy: -44.604 bonds (distance) P-C4' energy: -60.930 flat angles C4'-P-C4' energy: -42.697 flat angles P-C4'-P energy: -22.090 tors. eta vs tors. theta energy: -21.812 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: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -515.689765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.689765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.689765 (E_RNA) where: Base-Base interactions energy: -310.682 where: short stacking energy: -143.195 Base-Backbone interact. energy: -2.052 local terms energy: -202.955240 where: bonds (distance) C4'-P energy: -38.547 bonds (distance) P-C4' energy: -52.143 flat angles C4'-P-C4' energy: -47.463 flat angles P-C4'-P energy: -37.594 tors. eta vs tors. theta energy: -27.208 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: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -450.942311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.942311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.942311 (E_RNA) where: Base-Base interactions energy: -263.381 where: short stacking energy: -123.223 Base-Backbone interact. energy: -2.340 local terms energy: -185.221260 where: bonds (distance) C4'-P energy: -45.075 bonds (distance) P-C4' energy: -49.836 flat angles C4'-P-C4' energy: -55.183 flat angles P-C4'-P energy: -22.101 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1043.392871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.392871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.392871 (E_RNA) where: Base-Base interactions energy: -731.774 where: short stacking energy: -298.974 Base-Backbone interact. energy: 0.251 local terms energy: -311.870185 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -66.230 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -980.575610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.575610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.575610 (E_RNA) where: Base-Base interactions energy: -693.187 where: short stacking energy: -294.263 Base-Backbone interact. energy: 0.765 local terms energy: -288.153784 where: bonds (distance) C4'-P energy: -60.278 bonds (distance) P-C4' energy: -51.594 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -31.673 tors. eta vs tors. theta energy: -81.169 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: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -920.418669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.418669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.418669 (E_RNA) where: Base-Base interactions energy: -628.462 where: short stacking energy: -258.710 Base-Backbone interact. energy: -1.337 local terms energy: -290.619606 where: bonds (distance) C4'-P energy: -49.839 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -63.200 flat angles P-C4'-P energy: -33.215 tors. eta vs tors. theta energy: -82.275 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: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -936.807243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.807243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.807243 (E_RNA) where: Base-Base interactions energy: -669.216 where: short stacking energy: -264.432 Base-Backbone interact. energy: -1.108 local terms energy: -266.482486 where: bonds (distance) C4'-P energy: -48.687 bonds (distance) P-C4' energy: -45.336 flat angles C4'-P-C4' energy: -61.274 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -72.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -918.848114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.848114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.848114 (E_RNA) where: Base-Base interactions energy: -648.032 where: short stacking energy: -278.355 Base-Backbone interact. energy: -1.105 local terms energy: -269.711164 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -50.477 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -34.821 tors. eta vs tors. theta energy: -70.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -776.025297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.025297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.025297 (E_RNA) where: Base-Base interactions energy: -523.792 where: short stacking energy: -222.544 Base-Backbone interact. energy: -0.872 local terms energy: -251.361444 where: bonds (distance) C4'-P energy: -50.094 bonds (distance) P-C4' energy: -53.515 flat angles C4'-P-C4' energy: -50.622 flat angles P-C4'-P energy: -41.478 tors. eta vs tors. theta energy: -55.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -623.845948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.845948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.845948 (E_RNA) where: Base-Base interactions energy: -397.929 where: short stacking energy: -184.283 Base-Backbone interact. energy: 0.759 local terms energy: -226.676880 where: bonds (distance) C4'-P energy: -42.651 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -54.186 flat angles P-C4'-P energy: -31.247 tors. eta vs tors. theta energy: -40.567 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: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -478.604438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.604438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.604438 (E_RNA) where: Base-Base interactions energy: -287.608 where: short stacking energy: -143.975 Base-Backbone interact. energy: 3.432 local terms energy: -194.428345 where: bonds (distance) C4'-P energy: -33.330 bonds (distance) P-C4' energy: -54.362 flat angles C4'-P-C4' energy: -48.725 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -25.549 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: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -538.196860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.196860 (E_RNA) where: Base-Base interactions energy: -336.249 where: short stacking energy: -155.402 Base-Backbone interact. energy: -1.686 local terms energy: -200.262180 where: bonds (distance) C4'-P energy: -47.220 bonds (distance) P-C4' energy: -45.894 flat angles C4'-P-C4' energy: -52.608 flat angles P-C4'-P energy: -27.082 tors. eta vs tors. theta energy: -27.458 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: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -348.841330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.841330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.841330 (E_RNA) where: Base-Base interactions energy: -182.974 where: short stacking energy: -103.779 Base-Backbone interact. energy: -0.988 local terms energy: -164.879115 where: bonds (distance) C4'-P energy: -47.830 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -37.570 flat angles P-C4'-P energy: -19.916 tors. eta vs tors. theta energy: -9.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1066.085926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.085926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.085926 (E_RNA) where: Base-Base interactions energy: -758.665 where: short stacking energy: -309.421 Base-Backbone interact. energy: -2.530 local terms energy: -304.890756 where: bonds (distance) C4'-P energy: -50.575 bonds (distance) P-C4' energy: -59.985 flat angles C4'-P-C4' energy: -62.331 flat angles P-C4'-P energy: -40.941 tors. eta vs tors. theta energy: -91.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -994.461874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.461874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.461874 (E_RNA) where: Base-Base interactions energy: -692.186 where: short stacking energy: -308.004 Base-Backbone interact. energy: -1.474 local terms energy: -300.801044 where: bonds (distance) C4'-P energy: -57.501 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -88.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -914.393664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.393664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.393664 (E_RNA) where: Base-Base interactions energy: -621.606 where: short stacking energy: -268.361 Base-Backbone interact. energy: -2.001 local terms energy: -290.786518 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -49.256 flat angles C4'-P-C4' energy: -60.145 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -75.629 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: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -947.322661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.322661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.322661 (E_RNA) where: Base-Base interactions energy: -676.042 where: short stacking energy: -256.419 Base-Backbone interact. energy: -1.049 local terms energy: -270.231788 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -47.410 flat angles C4'-P-C4' energy: -57.380 flat angles P-C4'-P energy: -36.879 tors. eta vs tors. theta energy: -68.341 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: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -917.620371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.620371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.620371 (E_RNA) where: Base-Base interactions energy: -642.449 where: short stacking energy: -256.477 Base-Backbone interact. energy: -0.719 local terms energy: -274.453116 where: bonds (distance) C4'-P energy: -54.131 bonds (distance) P-C4' energy: -51.297 flat angles C4'-P-C4' energy: -58.557 flat angles P-C4'-P energy: -36.447 tors. eta vs tors. theta energy: -74.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -761.389295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.389295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.389295 (E_RNA) where: Base-Base interactions energy: -523.440 where: short stacking energy: -214.440 Base-Backbone interact. energy: -0.350 local terms energy: -237.598963 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -50.738 flat angles C4'-P-C4' energy: -48.887 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -46.267 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: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -634.431747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.431747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.431747 (E_RNA) where: Base-Base interactions energy: -400.243 where: short stacking energy: -195.115 Base-Backbone interact. energy: 3.043 local terms energy: -237.231206 where: bonds (distance) C4'-P energy: -51.774 bonds (distance) P-C4' energy: -50.613 flat angles C4'-P-C4' energy: -54.757 flat angles P-C4'-P energy: -32.385 tors. eta vs tors. theta energy: -47.703 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: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -522.981609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.981609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.981609 (E_RNA) where: Base-Base interactions energy: -330.391 where: short stacking energy: -152.533 Base-Backbone interact. energy: -0.898 local terms energy: -191.692818 where: bonds (distance) C4'-P energy: -37.768 bonds (distance) P-C4' energy: -48.628 flat angles C4'-P-C4' energy: -50.420 flat angles P-C4'-P energy: -28.418 tors. eta vs tors. theta energy: -26.459 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: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -475.313980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.313980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.313980 (E_RNA) where: Base-Base interactions energy: -295.534 where: short stacking energy: -150.257 Base-Backbone interact. energy: 0.757 local terms energy: -180.537184 where: bonds (distance) C4'-P energy: -37.665 bonds (distance) P-C4' energy: -37.454 flat angles C4'-P-C4' energy: -52.686 flat angles P-C4'-P energy: -32.173 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -344.118219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.118219 (E_RNA) where: Base-Base interactions energy: -190.703 where: short stacking energy: -116.448 Base-Backbone interact. energy: -0.596 local terms energy: -152.818691 where: bonds (distance) C4'-P energy: -35.891 bonds (distance) P-C4' energy: -51.912 flat angles C4'-P-C4' energy: -41.441 flat angles P-C4'-P energy: -19.707 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1067.470679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.470679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.470679 (E_RNA) where: Base-Base interactions energy: -744.066 where: short stacking energy: -299.828 Base-Backbone interact. energy: -1.611 local terms energy: -321.793458 where: bonds (distance) C4'-P energy: -61.053 bonds (distance) P-C4' energy: -60.440 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -87.946 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: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1023.688864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.688864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.688864 (E_RNA) where: Base-Base interactions energy: -705.703 where: short stacking energy: -314.969 Base-Backbone interact. energy: 0.024 local terms energy: -318.009688 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -61.236 flat angles C4'-P-C4' energy: -63.433 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -92.594 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: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -923.109522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.109522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.109522 (E_RNA) where: Base-Base interactions energy: -627.895 where: short stacking energy: -268.507 Base-Backbone interact. energy: -0.526 local terms energy: -294.687979 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -63.238 flat angles P-C4'-P energy: -29.330 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -929.717364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.717364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.717364 (E_RNA) where: Base-Base interactions energy: -630.419 where: short stacking energy: -263.587 Base-Backbone interact. energy: -2.686 local terms energy: -296.611967 where: bonds (distance) C4'-P energy: -52.591 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -66.729 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -78.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -915.262511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.262511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.262511 (E_RNA) where: Base-Base interactions energy: -639.780 where: short stacking energy: -269.444 Base-Backbone interact. energy: 0.047 local terms energy: -275.529254 where: bonds (distance) C4'-P energy: -48.426 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -53.006 flat angles P-C4'-P energy: -43.291 tors. eta vs tors. theta energy: -72.273 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: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -769.821376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.821376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.821376 (E_RNA) where: Base-Base interactions energy: -522.463 where: short stacking energy: -218.119 Base-Backbone interact. energy: -1.166 local terms energy: -246.191868 where: bonds (distance) C4'-P energy: -50.954 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -51.419 flat angles P-C4'-P energy: -30.259 tors. eta vs tors. theta energy: -53.845 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -631.919650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.919650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.919650 (E_RNA) where: Base-Base interactions energy: -399.244 where: short stacking energy: -175.697 Base-Backbone interact. energy: -0.479 local terms energy: -232.196619 where: bonds (distance) C4'-P energy: -51.426 bonds (distance) P-C4' energy: -52.206 flat angles C4'-P-C4' energy: -59.845 flat angles P-C4'-P energy: -31.600 tors. eta vs tors. theta energy: -37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -566.760937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.760937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.760937 (E_RNA) where: Base-Base interactions energy: -348.740 where: short stacking energy: -172.779 Base-Backbone interact. energy: -0.666 local terms energy: -217.354721 where: bonds (distance) C4'-P energy: -43.329 bonds (distance) P-C4' energy: -49.925 flat angles C4'-P-C4' energy: -45.211 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -37.278 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: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -494.940113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.940113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.940113 (E_RNA) where: Base-Base interactions energy: -295.633 where: short stacking energy: -146.311 Base-Backbone interact. energy: -0.948 local terms energy: -198.358921 where: bonds (distance) C4'-P energy: -49.380 bonds (distance) P-C4' energy: -47.650 flat angles C4'-P-C4' energy: -53.802 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: -10.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -302.209530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.209530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.209530 (E_RNA) where: Base-Base interactions energy: -150.606 where: short stacking energy: -95.717 Base-Backbone interact. energy: 1.463 local terms energy: -153.066428 where: bonds (distance) C4'-P energy: -38.924 bonds (distance) P-C4' energy: -45.754 flat angles C4'-P-C4' energy: -35.164 flat angles P-C4'-P energy: -27.959 tors. eta vs tors. theta energy: -5.266 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: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1047.804874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.804874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.804874 (E_RNA) where: Base-Base interactions energy: -745.621 where: short stacking energy: -304.290 Base-Backbone interact. energy: -0.881 local terms energy: -301.302818 where: bonds (distance) C4'-P energy: -57.664 bonds (distance) P-C4' energy: -48.503 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -80.989 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: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -969.831731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.831731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.831731 (E_RNA) where: Base-Base interactions energy: -673.938 where: short stacking energy: -289.472 Base-Backbone interact. energy: -0.277 local terms energy: -295.617466 where: bonds (distance) C4'-P energy: -53.361 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -82.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -917.906410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.906410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.906410 (E_RNA) where: Base-Base interactions energy: -617.775 where: short stacking energy: -272.743 Base-Backbone interact. energy: -0.661 local terms energy: -299.470486 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -50.689 flat angles C4'-P-C4' energy: -60.932 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -82.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -953.221285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.221285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.221285 (E_RNA) where: Base-Base interactions energy: -658.058 where: short stacking energy: -267.764 Base-Backbone interact. energy: -1.154 local terms energy: -294.009626 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -54.443 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: -78.978 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: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -902.993329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.993329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.993329 (E_RNA) where: Base-Base interactions energy: -625.489 where: short stacking energy: -272.288 Base-Backbone interact. energy: -0.345 local terms energy: -277.159204 where: bonds (distance) C4'-P energy: -49.701 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -58.555 flat angles P-C4'-P energy: -34.236 tors. eta vs tors. theta energy: -79.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -796.927123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.927123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.927123 (E_RNA) where: Base-Base interactions energy: -521.547 where: short stacking energy: -231.347 Base-Backbone interact. energy: -1.308 local terms energy: -274.072740 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -54.141 flat angles C4'-P-C4' energy: -64.322 flat angles P-C4'-P energy: -38.427 tors. eta vs tors. theta energy: -63.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -655.838957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.838957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.838957 (E_RNA) where: Base-Base interactions energy: -416.118 where: short stacking energy: -198.869 Base-Backbone interact. energy: -0.685 local terms energy: -239.036309 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -41.152 flat angles C4'-P-C4' energy: -57.619 flat angles P-C4'-P energy: -34.947 tors. eta vs tors. theta energy: -53.293 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -566.371066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.371066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.371066 (E_RNA) where: Base-Base interactions energy: -349.494 where: short stacking energy: -167.674 Base-Backbone interact. energy: -0.483 local terms energy: -216.393860 where: bonds (distance) C4'-P energy: -46.570 bonds (distance) P-C4' energy: -52.481 flat angles C4'-P-C4' energy: -50.276 flat angles P-C4'-P energy: -35.393 tors. eta vs tors. theta energy: -31.673 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: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -484.672835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.672835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.672835 (E_RNA) where: Base-Base interactions energy: -282.420 where: short stacking energy: -137.650 Base-Backbone interact. energy: -1.521 local terms energy: -200.731964 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -46.979 flat angles C4'-P-C4' energy: -37.245 flat angles P-C4'-P energy: -29.331 tors. eta vs tors. theta energy: -24.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -292.065306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.065306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.065306 (E_RNA) where: Base-Base interactions energy: -127.248 where: short stacking energy: -96.251 Base-Backbone interact. energy: 6.885 local terms energy: -171.703224 where: bonds (distance) C4'-P energy: -42.111 bonds (distance) P-C4' energy: -56.446 flat angles C4'-P-C4' energy: -49.300 flat angles P-C4'-P energy: -22.790 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1039.617165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.617165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.617165 (E_RNA) where: Base-Base interactions energy: -728.539 where: short stacking energy: -288.248 Base-Backbone interact. energy: -0.538 local terms energy: -310.540450 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -67.608 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -74.296 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: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -969.417566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.417566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.417566 (E_RNA) where: Base-Base interactions energy: -663.556 where: short stacking energy: -280.422 Base-Backbone interact. energy: -1.194 local terms energy: -304.668350 where: bonds (distance) C4'-P energy: -59.534 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -57.841 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -87.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -967.803841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.803841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.803841 (E_RNA) where: Base-Base interactions energy: -679.761 where: short stacking energy: -285.035 Base-Backbone interact. energy: -1.702 local terms energy: -286.341019 where: bonds (distance) C4'-P energy: -47.266 bonds (distance) P-C4' energy: -59.726 flat angles C4'-P-C4' energy: -61.652 flat angles P-C4'-P energy: -41.229 tors. eta vs tors. theta energy: -76.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -899.062837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.062837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.062837 (E_RNA) where: Base-Base interactions energy: -619.985 where: short stacking energy: -283.481 Base-Backbone interact. energy: 0.077 local terms energy: -279.154678 where: bonds (distance) C4'-P energy: -53.312 bonds (distance) P-C4' energy: -52.642 flat angles C4'-P-C4' energy: -61.815 flat angles P-C4'-P energy: -27.690 tors. eta vs tors. theta energy: -83.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -816.333256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.333256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.333256 (E_RNA) where: Base-Base interactions energy: -553.851 where: short stacking energy: -235.085 Base-Backbone interact. energy: -1.084 local terms energy: -261.398535 where: bonds (distance) C4'-P energy: -46.368 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -61.955 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -59.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -887.622171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.622171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.622171 (E_RNA) where: Base-Base interactions energy: -628.470 where: short stacking energy: -245.235 Base-Backbone interact. energy: -2.329 local terms energy: -256.822546 where: bonds (distance) C4'-P energy: -54.136 bonds (distance) P-C4' energy: -37.082 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -31.374 tors. eta vs tors. theta energy: -71.491 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: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -610.616654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.616654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.616654 (E_RNA) where: Base-Base interactions energy: -372.117 where: short stacking energy: -180.871 Base-Backbone interact. energy: 2.416 local terms energy: -240.915938 where: bonds (distance) C4'-P energy: -51.883 bonds (distance) P-C4' energy: -66.315 flat angles C4'-P-C4' energy: -58.207 flat angles P-C4'-P energy: -28.732 tors. eta vs tors. theta energy: -35.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -575.367292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.367292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.367292 (E_RNA) where: Base-Base interactions energy: -356.306 where: short stacking energy: -159.885 Base-Backbone interact. energy: -0.443 local terms energy: -218.618377 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -44.433 flat angles C4'-P-C4' energy: -50.530 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: -35.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -505.877159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.877159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.877159 (E_RNA) where: Base-Base interactions energy: -310.422 where: short stacking energy: -150.257 Base-Backbone interact. energy: -0.680 local terms energy: -194.774238 where: bonds (distance) C4'-P energy: -45.303 bonds (distance) P-C4' energy: -48.102 flat angles C4'-P-C4' energy: -43.861 flat angles P-C4'-P energy: -33.533 tors. eta vs tors. theta energy: -23.976 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: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -346.962505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.962505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.962505 (E_RNA) where: Base-Base interactions energy: -183.735 where: short stacking energy: -100.455 Base-Backbone interact. energy: 1.561 local terms energy: -164.788002 where: bonds (distance) C4'-P energy: -42.239 bonds (distance) P-C4' energy: -53.635 flat angles C4'-P-C4' energy: -40.137 flat angles P-C4'-P energy: -23.826 tors. eta vs tors. theta energy: -4.950 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: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1047.028624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.028624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.028624 (E_RNA) where: Base-Base interactions energy: -737.824 where: short stacking energy: -307.180 Base-Backbone interact. energy: -1.642 local terms energy: -307.562808 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -65.071 flat angles C4'-P-C4' energy: -62.088 flat angles P-C4'-P energy: -43.051 tors. eta vs tors. theta energy: -85.373 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: 2, replica: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -964.791239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.791239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.791239 (E_RNA) where: Base-Base interactions energy: -667.233 where: short stacking energy: -290.097 Base-Backbone interact. energy: -1.766 local terms energy: -295.792080 where: bonds (distance) C4'-P energy: -49.381 bonds (distance) P-C4' energy: -67.108 flat angles C4'-P-C4' energy: -60.082 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: -74.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -938.045507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.045507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.045507 (E_RNA) where: Base-Base interactions energy: -646.260 where: short stacking energy: -282.821 Base-Backbone interact. energy: 2.277 local terms energy: -294.062829 where: bonds (distance) C4'-P energy: -49.069 bonds (distance) P-C4' energy: -59.599 flat angles C4'-P-C4' energy: -59.675 flat angles P-C4'-P energy: -44.380 tors. eta vs tors. theta energy: -81.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -879.542470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.542470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.542470 (E_RNA) where: Base-Base interactions energy: -620.704 where: short stacking energy: -257.918 Base-Backbone interact. energy: 2.134 local terms energy: -260.972560 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -48.613 flat angles C4'-P-C4' energy: -53.425 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: -68.787 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: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -899.243343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.243343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.243343 (E_RNA) where: Base-Base interactions energy: -613.114 where: short stacking energy: -268.363 Base-Backbone interact. energy: -0.122 local terms energy: -286.007790 where: bonds (distance) C4'-P energy: -54.235 bonds (distance) P-C4' energy: -52.075 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -77.491 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: 177 Temperature: 1.150000 Total energy: -903.761516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.761516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.761516 (E_RNA) where: Base-Base interactions energy: -640.811 where: short stacking energy: -250.816 Base-Backbone interact. energy: -1.587 local terms energy: -261.363557 where: bonds (distance) C4'-P energy: -52.518 bonds (distance) P-C4' energy: -50.156 flat angles C4'-P-C4' energy: -60.044 flat angles P-C4'-P energy: -37.034 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: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -639.657543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.657543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.657543 (E_RNA) where: Base-Base interactions energy: -420.096 where: short stacking energy: -203.243 Base-Backbone interact. energy: -0.474 local terms energy: -219.087429 where: bonds (distance) C4'-P energy: -43.778 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -52.457 flat angles P-C4'-P energy: -31.058 tors. eta vs tors. theta energy: -32.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -579.733859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.733859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.733859 (E_RNA) where: Base-Base interactions energy: -372.675 where: short stacking energy: -158.239 Base-Backbone interact. energy: 0.823 local terms energy: -207.882198 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -55.679 flat angles C4'-P-C4' energy: -44.613 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -494.234663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.234663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.234663 (E_RNA) where: Base-Base interactions energy: -279.375 where: short stacking energy: -126.224 Base-Backbone interact. energy: -1.151 local terms energy: -213.709277 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -51.773 flat angles C4'-P-C4' energy: -49.189 flat angles P-C4'-P energy: -36.438 tors. eta vs tors. theta energy: -19.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -357.882484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.882484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.882484 (E_RNA) where: Base-Base interactions energy: -184.886 where: short stacking energy: -102.168 Base-Backbone interact. energy: 0.898 local terms energy: -173.894511 where: bonds (distance) C4'-P energy: -41.755 bonds (distance) P-C4' energy: -42.727 flat angles C4'-P-C4' energy: -53.403 flat angles P-C4'-P energy: -22.879 tors. eta vs tors. theta energy: -13.130 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: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1050.200437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.200437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.200437 (E_RNA) where: Base-Base interactions energy: -739.644 where: short stacking energy: -297.246 Base-Backbone interact. energy: -0.581 local terms energy: -309.975870 where: bonds (distance) C4'-P energy: -61.814 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -59.066 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -83.333 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: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -963.999192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.999192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.999192 (E_RNA) where: Base-Base interactions energy: -670.894 where: short stacking energy: -274.746 Base-Backbone interact. energy: -0.197 local terms energy: -292.907714 where: bonds (distance) C4'-P energy: -53.023 bonds (distance) P-C4' energy: -59.182 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: -72.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -944.759061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.759061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.759061 (E_RNA) where: Base-Base interactions energy: -641.948 where: short stacking energy: -277.458 Base-Backbone interact. energy: -0.299 local terms energy: -302.512857 where: bonds (distance) C4'-P energy: -52.802 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -64.573 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -83.500 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: 178 Temperature: 1.050000 Total energy: -899.687874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.687874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.687874 (E_RNA) where: Base-Base interactions energy: -630.368 where: short stacking energy: -264.198 Base-Backbone interact. energy: -0.840 local terms energy: -268.480322 where: bonds (distance) C4'-P energy: -51.239 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -66.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -898.712707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.712707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.712707 (E_RNA) where: Base-Base interactions energy: -615.693 where: short stacking energy: -270.227 Base-Backbone interact. energy: -1.481 local terms energy: -281.538865 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -53.112 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -35.164 tors. eta vs tors. theta energy: -73.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -858.261839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.261839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.261839 (E_RNA) where: Base-Base interactions energy: -599.882 where: short stacking energy: -255.267 Base-Backbone interact. energy: -2.072 local terms energy: -256.307544 where: bonds (distance) C4'-P energy: -41.505 bonds (distance) P-C4' energy: -54.725 flat angles C4'-P-C4' energy: -57.170 flat angles P-C4'-P energy: -37.170 tors. eta vs tors. theta energy: -65.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -619.615802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.615802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.615802 (E_RNA) where: Base-Base interactions energy: -396.805 where: short stacking energy: -167.075 Base-Backbone interact. energy: -0.325 local terms energy: -222.485423 where: bonds (distance) C4'-P energy: -52.431 bonds (distance) P-C4' energy: -52.221 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -29.561 tors. eta vs tors. theta energy: -33.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -561.663200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.663200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.663200 (E_RNA) where: Base-Base interactions energy: -349.893 where: short stacking energy: -161.530 Base-Backbone interact. energy: 2.351 local terms energy: -214.121771 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -43.222 flat angles C4'-P-C4' energy: -43.438 flat angles P-C4'-P energy: -42.104 tors. eta vs tors. theta energy: -35.444 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -466.705329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.705329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.705329 (E_RNA) where: Base-Base interactions energy: -286.210 where: short stacking energy: -149.970 Base-Backbone interact. energy: 1.397 local terms energy: -181.891597 where: bonds (distance) C4'-P energy: -44.375 bonds (distance) P-C4' energy: -38.027 flat angles C4'-P-C4' energy: -44.341 flat angles P-C4'-P energy: -29.293 tors. eta vs tors. theta energy: -25.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -513.646686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.646686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.646686 (E_RNA) where: Base-Base interactions energy: -315.175 where: short stacking energy: -145.978 Base-Backbone interact. energy: -1.755 local terms energy: -196.716747 where: bonds (distance) C4'-P energy: -49.831 bonds (distance) P-C4' energy: -58.570 flat angles C4'-P-C4' energy: -46.466 flat angles P-C4'-P energy: -17.122 tors. eta vs tors. theta energy: -24.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1056.944388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.944388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.944388 (E_RNA) where: Base-Base interactions energy: -733.465 where: short stacking energy: -309.476 Base-Backbone interact. energy: -1.124 local terms energy: -322.355012 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -59.269 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: -89.402 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: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -976.985489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.985489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.985489 (E_RNA) where: Base-Base interactions energy: -698.145 where: short stacking energy: -273.373 Base-Backbone interact. energy: 0.428 local terms energy: -279.268799 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -50.681 flat angles C4'-P-C4' energy: -55.396 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: -69.143 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: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -953.923567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.923567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.923567 (E_RNA) where: Base-Base interactions energy: -642.535 where: short stacking energy: -277.612 Base-Backbone interact. energy: -1.008 local terms energy: -310.380727 where: bonds (distance) C4'-P energy: -65.236 bonds (distance) P-C4' energy: -56.543 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: -85.928 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: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -912.029823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.029823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.029823 (E_RNA) where: Base-Base interactions energy: -635.475 where: short stacking energy: -252.535 Base-Backbone interact. energy: 1.181 local terms energy: -277.736085 where: bonds (distance) C4'-P energy: -59.727 bonds (distance) P-C4' energy: -51.597 flat angles C4'-P-C4' energy: -61.647 flat angles P-C4'-P energy: -34.816 tors. eta vs tors. theta energy: -69.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -871.223644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.223644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.223644 (E_RNA) where: Base-Base interactions energy: -610.519 where: short stacking energy: -266.086 Base-Backbone interact. energy: 0.372 local terms energy: -261.076360 where: bonds (distance) C4'-P energy: -53.669 bonds (distance) P-C4' energy: -47.361 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -24.397 tors. eta vs tors. theta energy: -72.682 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: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -858.048664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.048664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.048664 (E_RNA) where: Base-Base interactions energy: -600.643 where: short stacking energy: -255.831 Base-Backbone interact. energy: 1.211 local terms energy: -258.617215 where: bonds (distance) C4'-P energy: -36.172 bonds (distance) P-C4' energy: -46.235 flat angles C4'-P-C4' energy: -55.429 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -75.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -633.049666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.049666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.049666 (E_RNA) where: Base-Base interactions energy: -411.566 where: short stacking energy: -202.638 Base-Backbone interact. energy: 0.299 local terms energy: -221.782552 where: bonds (distance) C4'-P energy: -39.229 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -52.170 flat angles P-C4'-P energy: -31.195 tors. eta vs tors. theta energy: -40.830 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: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -535.257521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.257521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.257521 (E_RNA) where: Base-Base interactions energy: -332.782 where: short stacking energy: -149.905 Base-Backbone interact. energy: -0.880 local terms energy: -201.595589 where: bonds (distance) C4'-P energy: -44.487 bonds (distance) P-C4' energy: -51.843 flat angles C4'-P-C4' energy: -47.463 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -23.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -453.386446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.386446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.386446 (E_RNA) where: Base-Base interactions energy: -260.062 where: short stacking energy: -132.000 Base-Backbone interact. energy: -1.096 local terms energy: -192.228045 where: bonds (distance) C4'-P energy: -42.607 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -49.313 flat angles P-C4'-P energy: -22.032 tors. eta vs tors. theta energy: -19.976 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: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -424.267408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.267408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.267408 (E_RNA) where: Base-Base interactions energy: -254.475 where: short stacking energy: -132.881 Base-Backbone interact. energy: 2.166 local terms energy: -171.957868 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -43.367 flat angles C4'-P-C4' energy: -50.294 flat angles P-C4'-P energy: -23.920 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1055.275474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.275474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.275474 (E_RNA) where: Base-Base interactions energy: -751.781 where: short stacking energy: -309.626 Base-Backbone interact. energy: 2.499 local terms energy: -305.993656 where: bonds (distance) C4'-P energy: -53.821 bonds (distance) P-C4' energy: -51.707 flat angles C4'-P-C4' energy: -64.739 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -84.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1007.395352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.395352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.395352 (E_RNA) where: Base-Base interactions energy: -712.572 where: short stacking energy: -284.054 Base-Backbone interact. energy: -1.170 local terms energy: -293.653224 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -62.744 flat angles P-C4'-P energy: -36.414 tors. eta vs tors. theta energy: -79.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -962.628017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.628017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.628017 (E_RNA) where: Base-Base interactions energy: -659.101 where: short stacking energy: -272.474 Base-Backbone interact. energy: -0.679 local terms energy: -302.847409 where: bonds (distance) C4'-P energy: -53.666 bonds (distance) P-C4' energy: -57.598 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -89.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -910.531139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.531139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.531139 (E_RNA) where: Base-Base interactions energy: -641.125 where: short stacking energy: -257.391 Base-Backbone interact. energy: 2.245 local terms energy: -271.650995 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -58.605 flat angles C4'-P-C4' energy: -55.528 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -71.504 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: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -847.324411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.324411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.324411 (E_RNA) where: Base-Base interactions energy: -575.897 where: short stacking energy: -242.790 Base-Backbone interact. energy: -0.085 local terms energy: -271.342260 where: bonds (distance) C4'-P energy: -52.583 bonds (distance) P-C4' energy: -56.899 flat angles C4'-P-C4' energy: -57.041 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: -69.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -844.263461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.263461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.263461 (E_RNA) where: Base-Base interactions energy: -565.302 where: short stacking energy: -237.793 Base-Backbone interact. energy: 1.899 local terms energy: -280.861195 where: bonds (distance) C4'-P energy: -52.007 bonds (distance) P-C4' energy: -62.663 flat angles C4'-P-C4' energy: -58.065 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: -69.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -632.573946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.573946 (E_RNA) where: Base-Base interactions energy: -417.771 where: short stacking energy: -186.469 Base-Backbone interact. energy: 0.727 local terms energy: -215.529796 where: bonds (distance) C4'-P energy: -57.143 bonds (distance) P-C4' energy: -44.728 flat angles C4'-P-C4' energy: -51.938 flat angles P-C4'-P energy: -25.853 tors. eta vs tors. theta energy: -35.869 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: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -540.965272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.965272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.965272 (E_RNA) where: Base-Base interactions energy: -353.418 where: short stacking energy: -168.274 Base-Backbone interact. energy: 0.710 local terms energy: -188.257736 where: bonds (distance) C4'-P energy: -42.325 bonds (distance) P-C4' energy: -46.212 flat angles C4'-P-C4' energy: -42.251 flat angles P-C4'-P energy: -22.694 tors. eta vs tors. theta energy: -34.775 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: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -451.888056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.888056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.888056 (E_RNA) where: Base-Base interactions energy: -261.306 where: short stacking energy: -139.162 Base-Backbone interact. energy: 0.624 local terms energy: -191.205730 where: bonds (distance) C4'-P energy: -48.349 bonds (distance) P-C4' energy: -51.715 flat angles C4'-P-C4' energy: -45.409 flat angles P-C4'-P energy: -20.866 tors. eta vs tors. theta energy: -24.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -410.677533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.677533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.677533 (E_RNA) where: Base-Base interactions energy: -240.779 where: short stacking energy: -118.264 Base-Backbone interact. energy: 0.955 local terms energy: -170.853057 where: bonds (distance) C4'-P energy: -36.214 bonds (distance) P-C4' energy: -47.256 flat angles C4'-P-C4' energy: -45.872 flat angles P-C4'-P energy: -37.247 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1047.804813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.804813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.804813 (E_RNA) where: Base-Base interactions energy: -754.622 where: short stacking energy: -303.876 Base-Backbone interact. energy: -0.323 local terms energy: -292.860182 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -64.428 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -35.275 tors. eta vs tors. theta energy: -79.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1012.594859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.594859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.594859 (E_RNA) where: Base-Base interactions energy: -728.913 where: short stacking energy: -292.823 Base-Backbone interact. energy: -1.549 local terms energy: -282.133076 where: bonds (distance) C4'-P energy: -52.003 bonds (distance) P-C4' energy: -56.632 flat angles C4'-P-C4' energy: -60.230 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: -77.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -956.654314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.654314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.654314 (E_RNA) where: Base-Base interactions energy: -659.158 where: short stacking energy: -286.821 Base-Backbone interact. energy: -2.153 local terms energy: -295.343231 where: bonds (distance) C4'-P energy: -47.746 bonds (distance) P-C4' energy: -65.036 flat angles C4'-P-C4' energy: -62.308 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -85.132 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: 181 Temperature: 1.050000 Total energy: -926.891341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.891341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.891341 (E_RNA) where: Base-Base interactions energy: -651.584 where: short stacking energy: -267.976 Base-Backbone interact. energy: -2.340 local terms energy: -272.968047 where: bonds (distance) C4'-P energy: -52.816 bonds (distance) P-C4' energy: -52.733 flat angles C4'-P-C4' energy: -61.707 flat angles P-C4'-P energy: -33.771 tors. eta vs tors. theta energy: -71.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -869.480488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.480488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.480488 (E_RNA) where: Base-Base interactions energy: -598.847 where: short stacking energy: -257.901 Base-Backbone interact. energy: -1.123 local terms energy: -269.510098 where: bonds (distance) C4'-P energy: -44.345 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -62.696 flat angles P-C4'-P energy: -36.910 tors. eta vs tors. theta energy: -66.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -823.100130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.100130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.100130 (E_RNA) where: Base-Base interactions energy: -564.964 where: short stacking energy: -242.135 Base-Backbone interact. energy: -2.816 local terms energy: -255.320080 where: bonds (distance) C4'-P energy: -56.203 bonds (distance) P-C4' energy: -50.938 flat angles C4'-P-C4' energy: -47.817 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: -64.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -634.667410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.667410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.667410 (E_RNA) where: Base-Base interactions energy: -407.273 where: short stacking energy: -180.412 Base-Backbone interact. energy: -0.751 local terms energy: -226.643720 where: bonds (distance) C4'-P energy: -52.015 bonds (distance) P-C4' energy: -49.781 flat angles C4'-P-C4' energy: -48.671 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: -45.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -542.230719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.230719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.230719 (E_RNA) where: Base-Base interactions energy: -325.292 where: short stacking energy: -166.150 Base-Backbone interact. energy: -1.669 local terms energy: -215.270060 where: bonds (distance) C4'-P energy: -45.300 bonds (distance) P-C4' energy: -60.286 flat angles C4'-P-C4' energy: -53.437 flat angles P-C4'-P energy: -24.283 tors. eta vs tors. theta energy: -31.964 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: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -445.875059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.875059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.875059 (E_RNA) where: Base-Base interactions energy: -272.848 where: short stacking energy: -135.397 Base-Backbone interact. energy: 3.350 local terms energy: -176.377021 where: bonds (distance) C4'-P energy: -41.636 bonds (distance) P-C4' energy: -41.447 flat angles C4'-P-C4' energy: -38.893 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -449.381656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.381656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.381656 (E_RNA) where: Base-Base interactions energy: -265.957 where: short stacking energy: -146.040 Base-Backbone interact. energy: 0.749 local terms energy: -184.173531 where: bonds (distance) C4'-P energy: -44.739 bonds (distance) P-C4' energy: -48.660 flat angles C4'-P-C4' energy: -49.884 flat angles P-C4'-P energy: -16.576 tors. eta vs tors. theta energy: -24.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1079.182119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.182119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.182119 (E_RNA) where: Base-Base interactions energy: -757.452 where: short stacking energy: -318.803 Base-Backbone interact. energy: -1.410 local terms energy: -320.320126 where: bonds (distance) C4'-P energy: -58.229 bonds (distance) P-C4' energy: -59.966 flat angles C4'-P-C4' energy: -71.101 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -86.610 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: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -972.945847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.945847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.945847 (E_RNA) where: Base-Base interactions energy: -702.239 where: short stacking energy: -270.204 Base-Backbone interact. energy: 0.103 local terms energy: -270.810405 where: bonds (distance) C4'-P energy: -54.013 bonds (distance) P-C4' energy: -51.278 flat angles C4'-P-C4' energy: -55.909 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -68.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -961.285320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.285320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.285320 (E_RNA) where: Base-Base interactions energy: -650.308 where: short stacking energy: -287.984 Base-Backbone interact. energy: -0.166 local terms energy: -310.811260 where: bonds (distance) C4'-P energy: -53.840 bonds (distance) P-C4' energy: -57.730 flat angles C4'-P-C4' energy: -67.748 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -85.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -893.408988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.408988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.408988 (E_RNA) where: Base-Base interactions energy: -606.421 where: short stacking energy: -236.993 Base-Backbone interact. energy: -0.748 local terms energy: -286.240367 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -63.078 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -68.441 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: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -848.139345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.139345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.139345 (E_RNA) where: Base-Base interactions energy: -562.645 where: short stacking energy: -253.083 Base-Backbone interact. energy: -1.304 local terms energy: -284.190329 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -54.214 flat angles C4'-P-C4' energy: -56.780 flat angles P-C4'-P energy: -50.291 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: 6, replica: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -856.431351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.431351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.431351 (E_RNA) where: Base-Base interactions energy: -589.459 where: short stacking energy: -248.592 Base-Backbone interact. energy: -0.934 local terms energy: -266.038424 where: bonds (distance) C4'-P energy: -49.123 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -56.177 flat angles P-C4'-P energy: -35.697 tors. eta vs tors. theta energy: -65.415 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: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -550.775834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.775834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.775834 (E_RNA) where: Base-Base interactions energy: -347.542 where: short stacking energy: -175.745 Base-Backbone interact. energy: -0.127 local terms energy: -203.106988 where: bonds (distance) C4'-P energy: -43.162 bonds (distance) P-C4' energy: -49.198 flat angles C4'-P-C4' energy: -51.289 flat angles P-C4'-P energy: -29.188 tors. eta vs tors. theta energy: -30.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -592.818224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.818224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.818224 (E_RNA) where: Base-Base interactions energy: -364.171 where: short stacking energy: -171.477 Base-Backbone interact. energy: 5.405 local terms energy: -234.052384 where: bonds (distance) C4'-P energy: -51.811 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -57.546 flat angles P-C4'-P energy: -31.006 tors. eta vs tors. theta energy: -37.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -452.430383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.430383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.430383 (E_RNA) where: Base-Base interactions energy: -262.055 where: short stacking energy: -116.477 Base-Backbone interact. energy: 4.234 local terms energy: -194.609268 where: bonds (distance) C4'-P energy: -52.500 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -43.873 flat angles P-C4'-P energy: -22.542 tors. eta vs tors. theta energy: -15.388 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: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -391.059409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.059409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.059409 (E_RNA) where: Base-Base interactions energy: -212.187 where: short stacking energy: -118.234 Base-Backbone interact. energy: -0.673 local terms energy: -178.198687 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -40.433 flat angles C4'-P-C4' energy: -36.843 flat angles P-C4'-P energy: -36.454 tors. eta vs tors. theta energy: -10.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1048.426394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.426394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.426394 (E_RNA) where: Base-Base interactions energy: -745.612 where: short stacking energy: -304.309 Base-Backbone interact. energy: -1.349 local terms energy: -301.465389 where: bonds (distance) C4'-P energy: -57.662 bonds (distance) P-C4' energy: -56.987 flat angles C4'-P-C4' energy: -58.712 flat angles P-C4'-P energy: -42.702 tors. eta vs tors. theta energy: -85.403 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: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -994.723668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.723668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.723668 (E_RNA) where: Base-Base interactions energy: -697.159 where: short stacking energy: -299.135 Base-Backbone interact. energy: 0.354 local terms energy: -297.919347 where: bonds (distance) C4'-P energy: -58.961 bonds (distance) P-C4' energy: -49.678 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -37.524 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -941.295235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.295235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.295235 (E_RNA) where: Base-Base interactions energy: -661.357 where: short stacking energy: -260.368 Base-Backbone interact. energy: -0.469 local terms energy: -279.469255 where: bonds (distance) C4'-P energy: -53.539 bonds (distance) P-C4' energy: -64.557 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -68.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -904.857637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.857637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.857637 (E_RNA) where: Base-Base interactions energy: -628.184 where: short stacking energy: -264.756 Base-Backbone interact. energy: 0.506 local terms energy: -277.179313 where: bonds (distance) C4'-P energy: -48.987 bonds (distance) P-C4' energy: -52.381 flat angles C4'-P-C4' energy: -53.990 flat angles P-C4'-P energy: -39.335 tors. eta vs tors. theta energy: -82.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -860.313711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.313711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.313711 (E_RNA) where: Base-Base interactions energy: -599.995 where: short stacking energy: -257.258 Base-Backbone interact. energy: -0.606 local terms energy: -259.712531 where: bonds (distance) C4'-P energy: -42.111 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -62.264 flat angles P-C4'-P energy: -36.977 tors. eta vs tors. theta energy: -71.507 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: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -852.984367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.984367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.984367 (E_RNA) where: Base-Base interactions energy: -597.684 where: short stacking energy: -249.364 Base-Backbone interact. energy: -0.351 local terms energy: -254.949489 where: bonds (distance) C4'-P energy: -45.683 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -60.919 flat angles P-C4'-P energy: -26.886 tors. eta vs tors. theta energy: -66.954 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: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -541.960272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.960272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.960272 (E_RNA) where: Base-Base interactions energy: -347.357 where: short stacking energy: -166.765 Base-Backbone interact. energy: -1.581 local terms energy: -193.022745 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -49.701 flat angles C4'-P-C4' energy: -36.246 flat angles P-C4'-P energy: -26.250 tors. eta vs tors. theta energy: -26.244 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: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -605.435983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.435983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.435983 (E_RNA) where: Base-Base interactions energy: -385.615 where: short stacking energy: -191.100 Base-Backbone interact. energy: -0.814 local terms energy: -219.006567 where: bonds (distance) C4'-P energy: -43.410 bonds (distance) P-C4' energy: -49.216 flat angles C4'-P-C4' energy: -47.461 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -38.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -476.076231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.076231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.076231 (E_RNA) where: Base-Base interactions energy: -294.990 where: short stacking energy: -145.230 Base-Backbone interact. energy: 0.494 local terms energy: -181.580298 where: bonds (distance) C4'-P energy: -48.265 bonds (distance) P-C4' energy: -38.383 flat angles C4'-P-C4' energy: -45.354 flat angles P-C4'-P energy: -35.267 tors. eta vs tors. theta energy: -14.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -365.648537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.648537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.648537 (E_RNA) where: Base-Base interactions energy: -201.441 where: short stacking energy: -109.027 Base-Backbone interact. energy: -1.041 local terms energy: -163.166355 where: bonds (distance) C4'-P energy: -46.737 bonds (distance) P-C4' energy: -44.990 flat angles C4'-P-C4' energy: -42.619 flat angles P-C4'-P energy: -29.593 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1035.777386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.777386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.777386 (E_RNA) where: Base-Base interactions energy: -746.517 where: short stacking energy: -309.441 Base-Backbone interact. energy: -0.388 local terms energy: -288.871839 where: bonds (distance) C4'-P energy: -54.129 bonds (distance) P-C4' energy: -54.414 flat angles C4'-P-C4' energy: -61.424 flat angles P-C4'-P energy: -38.130 tors. eta vs tors. theta energy: -80.775 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: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1005.734831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.734831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.734831 (E_RNA) where: Base-Base interactions energy: -708.401 where: short stacking energy: -315.039 Base-Backbone interact. energy: -0.818 local terms energy: -296.516177 where: bonds (distance) C4'-P energy: -52.641 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -63.783 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -86.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -942.969776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.969776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.969776 (E_RNA) where: Base-Base interactions energy: -648.381 where: short stacking energy: -272.941 Base-Backbone interact. energy: -1.718 local terms energy: -292.871185 where: bonds (distance) C4'-P energy: -51.346 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -58.585 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: -83.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -908.240257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.240257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.240257 (E_RNA) where: Base-Base interactions energy: -629.099 where: short stacking energy: -260.151 Base-Backbone interact. energy: -0.485 local terms energy: -278.656261 where: bonds (distance) C4'-P energy: -58.134 bonds (distance) P-C4' energy: -54.458 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -44.380 tors. eta vs tors. theta energy: -64.232 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: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -823.873462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.873462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.873462 (E_RNA) where: Base-Base interactions energy: -563.810 where: short stacking energy: -237.610 Base-Backbone interact. energy: -0.631 local terms energy: -259.431913 where: bonds (distance) C4'-P energy: -54.427 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -54.079 flat angles P-C4'-P energy: -30.260 tors. eta vs tors. theta energy: -62.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -827.107825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.107825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.107825 (E_RNA) where: Base-Base interactions energy: -564.757 where: short stacking energy: -250.350 Base-Backbone interact. energy: -2.009 local terms energy: -260.341526 where: bonds (distance) C4'-P energy: -39.112 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -61.548 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -62.698 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -611.406744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.406744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.406744 (E_RNA) where: Base-Base interactions energy: -379.037 where: short stacking energy: -205.303 Base-Backbone interact. energy: -1.986 local terms energy: -230.383962 where: bonds (distance) C4'-P energy: -55.948 bonds (distance) P-C4' energy: -52.593 flat angles C4'-P-C4' energy: -55.197 flat angles P-C4'-P energy: -26.974 tors. eta vs tors. theta energy: -39.673 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: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -534.534491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.534491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.534491 (E_RNA) where: Base-Base interactions energy: -348.827 where: short stacking energy: -165.124 Base-Backbone interact. energy: -0.465 local terms energy: -185.242220 where: bonds (distance) C4'-P energy: -48.517 bonds (distance) P-C4' energy: -47.293 flat angles C4'-P-C4' energy: -38.277 flat angles P-C4'-P energy: -22.155 tors. eta vs tors. theta energy: -29.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -497.473720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.473720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.473720 (E_RNA) where: Base-Base interactions energy: -313.691 where: short stacking energy: -153.666 Base-Backbone interact. energy: -0.114 local terms energy: -183.668076 where: bonds (distance) C4'-P energy: -49.363 bonds (distance) P-C4' energy: -47.941 flat angles C4'-P-C4' energy: -38.736 flat angles P-C4'-P energy: -18.940 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: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -326.878572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.878572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.878572 (E_RNA) where: Base-Base interactions energy: -180.125 where: short stacking energy: -121.176 Base-Backbone interact. energy: 3.144 local terms energy: -149.897709 where: bonds (distance) C4'-P energy: -37.869 bonds (distance) P-C4' energy: -47.220 flat angles C4'-P-C4' energy: -34.948 flat angles P-C4'-P energy: -15.529 tors. eta vs tors. theta energy: -14.331 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: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1013.791398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.791398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.791398 (E_RNA) where: Base-Base interactions energy: -712.656 where: short stacking energy: -299.681 Base-Backbone interact. energy: 1.213 local terms energy: -302.348634 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -58.667 flat angles C4'-P-C4' energy: -58.068 flat angles P-C4'-P energy: -44.232 tors. eta vs tors. theta energy: -78.337 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: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1014.621803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.621803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.621803 (E_RNA) where: Base-Base interactions energy: -704.897 where: short stacking energy: -318.888 Base-Backbone interact. energy: -1.189 local terms energy: -308.536110 where: bonds (distance) C4'-P energy: -47.302 bonds (distance) P-C4' energy: -61.802 flat angles C4'-P-C4' energy: -68.026 flat angles P-C4'-P energy: -43.321 tors. eta vs tors. theta energy: -88.085 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: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -941.878816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.878816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.878816 (E_RNA) where: Base-Base interactions energy: -657.950 where: short stacking energy: -270.498 Base-Backbone interact. energy: -0.909 local terms energy: -283.019154 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -57.198 flat angles C4'-P-C4' energy: -54.993 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -71.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -941.258504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.258504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.258504 (E_RNA) where: Base-Base interactions energy: -646.965 where: short stacking energy: -261.367 Base-Backbone interact. energy: -0.518 local terms energy: -293.774642 where: bonds (distance) C4'-P energy: -62.925 bonds (distance) P-C4' energy: -65.033 flat angles C4'-P-C4' energy: -47.191 flat angles P-C4'-P energy: -39.243 tors. eta vs tors. theta energy: -79.382 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: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -844.562679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.562679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.562679 (E_RNA) where: Base-Base interactions energy: -561.612 where: short stacking energy: -245.446 Base-Backbone interact. energy: -0.354 local terms energy: -282.596485 where: bonds (distance) C4'-P energy: -48.465 bonds (distance) P-C4' energy: -58.078 flat angles C4'-P-C4' energy: -56.102 flat angles P-C4'-P energy: -48.622 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: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -831.730065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.730065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.730065 (E_RNA) where: Base-Base interactions energy: -575.051 where: short stacking energy: -226.078 Base-Backbone interact. energy: -0.310 local terms energy: -256.369238 where: bonds (distance) C4'-P energy: -49.320 bonds (distance) P-C4' energy: -51.735 flat angles C4'-P-C4' energy: -57.761 flat angles P-C4'-P energy: -37.621 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: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -638.698612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.698612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.698612 (E_RNA) where: Base-Base interactions energy: -409.710 where: short stacking energy: -196.273 Base-Backbone interact. energy: 1.320 local terms energy: -230.307771 where: bonds (distance) C4'-P energy: -45.950 bonds (distance) P-C4' energy: -47.360 flat angles C4'-P-C4' energy: -50.054 flat angles P-C4'-P energy: -39.379 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: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -544.661960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.661960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.661960 (E_RNA) where: Base-Base interactions energy: -357.438 where: short stacking energy: -159.201 Base-Backbone interact. energy: -1.188 local terms energy: -186.035651 where: bonds (distance) C4'-P energy: -49.254 bonds (distance) P-C4' energy: -36.886 flat angles C4'-P-C4' energy: -58.015 flat angles P-C4'-P energy: -17.039 tors. eta vs tors. theta energy: -24.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -462.043706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.043706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.043706 (E_RNA) where: Base-Base interactions energy: -263.232 where: short stacking energy: -134.022 Base-Backbone interact. energy: -0.940 local terms energy: -197.871364 where: bonds (distance) C4'-P energy: -43.671 bonds (distance) P-C4' energy: -54.344 flat angles C4'-P-C4' energy: -50.646 flat angles P-C4'-P energy: -29.840 tors. eta vs tors. theta energy: -19.370 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: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -328.023739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.023739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.023739 (E_RNA) where: Base-Base interactions energy: -171.409 where: short stacking energy: -77.748 Base-Backbone interact. energy: 0.873 local terms energy: -157.487714 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -44.292 flat angles C4'-P-C4' energy: -39.038 flat angles P-C4'-P energy: -29.258 tors. eta vs tors. theta energy: 11.350 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1018.830583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.830583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.830583 (E_RNA) where: Base-Base interactions energy: -691.812 where: short stacking energy: -293.173 Base-Backbone interact. energy: -0.471 local terms energy: -326.547353 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -54.663 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -91.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1013.656491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.656491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.656491 (E_RNA) where: Base-Base interactions energy: -700.235 where: short stacking energy: -298.083 Base-Backbone interact. energy: -2.137 local terms energy: -311.283943 where: bonds (distance) C4'-P energy: -59.005 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -64.018 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -87.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -969.229352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.229352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.229352 (E_RNA) where: Base-Base interactions energy: -669.329 where: short stacking energy: -301.785 Base-Backbone interact. energy: -0.704 local terms energy: -299.196087 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -57.316 flat angles C4'-P-C4' energy: -58.029 flat angles P-C4'-P energy: -41.916 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: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -933.982327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.982327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.982327 (E_RNA) where: Base-Base interactions energy: -628.099 where: short stacking energy: -269.597 Base-Backbone interact. energy: -0.689 local terms energy: -305.194962 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -64.178 flat angles P-C4'-P energy: -44.063 tors. eta vs tors. theta energy: -75.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -858.422576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.422576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.422576 (E_RNA) where: Base-Base interactions energy: -601.028 where: short stacking energy: -253.631 Base-Backbone interact. energy: -1.423 local terms energy: -255.972110 where: bonds (distance) C4'-P energy: -43.025 bonds (distance) P-C4' energy: -49.658 flat angles C4'-P-C4' energy: -56.937 flat angles P-C4'-P energy: -43.505 tors. eta vs tors. theta energy: -62.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -794.725502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.725502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.725502 (E_RNA) where: Base-Base interactions energy: -548.475 where: short stacking energy: -242.764 Base-Backbone interact. energy: -1.320 local terms energy: -244.930620 where: bonds (distance) C4'-P energy: -41.328 bonds (distance) P-C4' energy: -50.908 flat angles C4'-P-C4' energy: -57.010 flat angles P-C4'-P energy: -30.745 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: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -638.480935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.480935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.480935 (E_RNA) where: Base-Base interactions energy: -417.500 where: short stacking energy: -184.347 Base-Backbone interact. energy: -0.596 local terms energy: -220.384557 where: bonds (distance) C4'-P energy: -44.417 bonds (distance) P-C4' energy: -51.135 flat angles C4'-P-C4' energy: -50.749 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -38.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -560.615336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.615336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.615336 (E_RNA) where: Base-Base interactions energy: -351.659 where: short stacking energy: -172.006 Base-Backbone interact. energy: -0.274 local terms energy: -208.683029 where: bonds (distance) C4'-P energy: -43.021 bonds (distance) P-C4' energy: -47.569 flat angles C4'-P-C4' energy: -49.930 flat angles P-C4'-P energy: -32.893 tors. eta vs tors. theta energy: -35.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -473.192164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.192164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.192164 (E_RNA) where: Base-Base interactions energy: -286.337 where: short stacking energy: -135.751 Base-Backbone interact. energy: -1.178 local terms energy: -185.677391 where: bonds (distance) C4'-P energy: -45.488 bonds (distance) P-C4' energy: -52.210 flat angles C4'-P-C4' energy: -36.173 flat angles P-C4'-P energy: -31.729 tors. eta vs tors. theta energy: -20.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -386.897657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.897657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.897657 (E_RNA) where: Base-Base interactions energy: -205.247 where: short stacking energy: -101.057 Base-Backbone interact. energy: -2.168 local terms energy: -179.482625 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -46.978 flat angles C4'-P-C4' energy: -46.416 flat angles P-C4'-P energy: -31.849 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1003.460164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.460164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.460164 (E_RNA) where: Base-Base interactions energy: -683.300 where: short stacking energy: -303.893 Base-Backbone interact. energy: -0.147 local terms energy: -320.012888 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -37.836 tors. eta vs tors. theta energy: -87.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1035.152266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.152266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.152266 (E_RNA) where: Base-Base interactions energy: -736.653 where: short stacking energy: -314.458 Base-Backbone interact. energy: -1.075 local terms energy: -297.424515 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -59.265 flat angles C4'-P-C4' energy: -57.607 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -81.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -954.136645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.136645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.136645 (E_RNA) where: Base-Base interactions energy: -661.626 where: short stacking energy: -268.249 Base-Backbone interact. energy: 0.383 local terms energy: -292.893983 where: bonds (distance) C4'-P energy: -44.357 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -69.133 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: -80.637 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: 187 Temperature: 1.050000 Total energy: -949.679217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.679217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.679217 (E_RNA) where: Base-Base interactions energy: -671.138 where: short stacking energy: -268.852 Base-Backbone interact. energy: 0.272 local terms energy: -278.813065 where: bonds (distance) C4'-P energy: -55.153 bonds (distance) P-C4' energy: -50.738 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -75.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -872.871250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.871250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.871250 (E_RNA) where: Base-Base interactions energy: -603.796 where: short stacking energy: -247.529 Base-Backbone interact. energy: 0.148 local terms energy: -269.224146 where: bonds (distance) C4'-P energy: -51.986 bonds (distance) P-C4' energy: -53.032 flat angles C4'-P-C4' energy: -59.782 flat angles P-C4'-P energy: -34.415 tors. eta vs tors. theta energy: -70.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -826.045520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.045520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.045520 (E_RNA) where: Base-Base interactions energy: -568.716 where: short stacking energy: -237.776 Base-Backbone interact. energy: 0.343 local terms energy: -257.672559 where: bonds (distance) C4'-P energy: -58.298 bonds (distance) P-C4' energy: -47.467 flat angles C4'-P-C4' energy: -56.736 flat angles P-C4'-P energy: -29.985 tors. eta vs tors. theta energy: -65.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -615.336149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.336149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.336149 (E_RNA) where: Base-Base interactions energy: -388.569 where: short stacking energy: -171.103 Base-Backbone interact. energy: -0.726 local terms energy: -226.041064 where: bonds (distance) C4'-P energy: -53.190 bonds (distance) P-C4' energy: -46.417 flat angles C4'-P-C4' energy: -47.201 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: -49.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -548.413183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.413183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.413183 (E_RNA) where: Base-Base interactions energy: -336.909 where: short stacking energy: -157.669 Base-Backbone interact. energy: -0.185 local terms energy: -211.319824 where: bonds (distance) C4'-P energy: -51.008 bonds (distance) P-C4' energy: -58.353 flat angles C4'-P-C4' energy: -46.151 flat angles P-C4'-P energy: -23.992 tors. eta vs tors. theta energy: -31.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -480.082503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.082503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.082503 (E_RNA) where: Base-Base interactions energy: -305.698 where: short stacking energy: -136.131 Base-Backbone interact. energy: 6.597 local terms energy: -180.980758 where: bonds (distance) C4'-P energy: -47.926 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -42.980 flat angles P-C4'-P energy: -24.982 tors. eta vs tors. theta energy: -11.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -359.539410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.539410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.539410 (E_RNA) where: Base-Base interactions energy: -187.690 where: short stacking energy: -98.095 Base-Backbone interact. energy: -0.897 local terms energy: -170.952326 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -45.775 flat angles C4'-P-C4' energy: -52.382 flat angles P-C4'-P energy: -21.200 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1035.242054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.242054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.242054 (E_RNA) where: Base-Base interactions energy: -738.413 where: short stacking energy: -308.248 Base-Backbone interact. energy: -1.560 local terms energy: -295.269238 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -62.679 flat angles P-C4'-P energy: -40.934 tors. eta vs tors. theta energy: -79.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -993.270863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.270863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.270863 (E_RNA) where: Base-Base interactions energy: -681.750 where: short stacking energy: -291.245 Base-Backbone interact. energy: -0.964 local terms energy: -310.556785 where: bonds (distance) C4'-P energy: -51.551 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -93.469 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: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -956.189872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.189872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.189872 (E_RNA) where: Base-Base interactions energy: -682.211 where: short stacking energy: -285.591 Base-Backbone interact. energy: 0.895 local terms energy: -274.874108 where: bonds (distance) C4'-P energy: -47.103 bonds (distance) P-C4' energy: -55.721 flat angles C4'-P-C4' energy: -60.503 flat angles P-C4'-P energy: -36.430 tors. eta vs tors. theta energy: -75.117 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: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -945.408814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.408814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.408814 (E_RNA) where: Base-Base interactions energy: -652.193 where: short stacking energy: -263.854 Base-Backbone interact. energy: -1.583 local terms energy: -291.633118 where: bonds (distance) C4'-P energy: -51.597 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -62.008 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -76.669 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: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -861.635122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.635122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.635122 (E_RNA) where: Base-Base interactions energy: -589.575 where: short stacking energy: -269.167 Base-Backbone interact. energy: 0.171 local terms energy: -272.231708 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -53.838 flat angles C4'-P-C4' energy: -58.807 flat angles P-C4'-P energy: -35.029 tors. eta vs tors. theta energy: -73.063 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: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -838.913280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.913280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.913280 (E_RNA) where: Base-Base interactions energy: -578.780 where: short stacking energy: -253.503 Base-Backbone interact. energy: -0.431 local terms energy: -259.702025 where: bonds (distance) C4'-P energy: -51.025 bonds (distance) P-C4' energy: -51.182 flat angles C4'-P-C4' energy: -53.824 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: -73.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -635.734057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.734057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.734057 (E_RNA) where: Base-Base interactions energy: -417.057 where: short stacking energy: -189.386 Base-Backbone interact. energy: -1.015 local terms energy: -217.662726 where: bonds (distance) C4'-P energy: -56.201 bonds (distance) P-C4' energy: -49.457 flat angles C4'-P-C4' energy: -48.725 flat angles P-C4'-P energy: -25.718 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: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -539.868556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.868556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.868556 (E_RNA) where: Base-Base interactions energy: -334.572 where: short stacking energy: -137.646 Base-Backbone interact. energy: -0.827 local terms energy: -204.468657 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -47.055 flat angles C4'-P-C4' energy: -43.717 flat angles P-C4'-P energy: -40.636 tors. eta vs tors. theta energy: -19.285 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -476.028966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.028966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.028966 (E_RNA) where: Base-Base interactions energy: -286.008 where: short stacking energy: -129.674 Base-Backbone interact. energy: -0.060 local terms energy: -189.961256 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -54.515 flat angles C4'-P-C4' energy: -36.801 flat angles P-C4'-P energy: -29.093 tors. eta vs tors. theta energy: -15.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -377.621236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.621236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.621236 (E_RNA) where: Base-Base interactions energy: -200.661 where: short stacking energy: -124.973 Base-Backbone interact. energy: -0.978 local terms energy: -175.982803 where: bonds (distance) C4'-P energy: -45.700 bonds (distance) P-C4' energy: -46.070 flat angles C4'-P-C4' energy: -44.939 flat angles P-C4'-P energy: -19.484 tors. eta vs tors. theta energy: -19.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1033.207469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.207469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.207469 (E_RNA) where: Base-Base interactions energy: -717.031 where: short stacking energy: -297.094 Base-Backbone interact. energy: 0.787 local terms energy: -316.962993 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -61.006 flat angles P-C4'-P energy: -51.231 tors. eta vs tors. theta energy: -85.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -987.931334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.931334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.931334 (E_RNA) where: Base-Base interactions energy: -690.143 where: short stacking energy: -285.990 Base-Backbone interact. energy: -2.013 local terms energy: -295.775327 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -49.073 flat angles C4'-P-C4' energy: -59.129 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -86.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -965.180153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.180153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.180153 (E_RNA) where: Base-Base interactions energy: -664.070 where: short stacking energy: -269.581 Base-Backbone interact. energy: -2.665 local terms energy: -298.445110 where: bonds (distance) C4'-P energy: -54.214 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -64.385 flat angles P-C4'-P energy: -36.666 tors. eta vs tors. theta energy: -81.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -938.837016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.837016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.837016 (E_RNA) where: Base-Base interactions energy: -636.099 where: short stacking energy: -270.523 Base-Backbone interact. energy: 0.913 local terms energy: -303.651150 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: -77.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -863.962915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.962915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.962915 (E_RNA) where: Base-Base interactions energy: -595.022 where: short stacking energy: -253.734 Base-Backbone interact. energy: -1.945 local terms energy: -266.995772 where: bonds (distance) C4'-P energy: -49.548 bonds (distance) P-C4' energy: -52.753 flat angles C4'-P-C4' energy: -52.964 flat angles P-C4'-P energy: -39.544 tors. eta vs tors. theta energy: -72.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -810.149852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.149852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.149852 (E_RNA) where: Base-Base interactions energy: -563.478 where: short stacking energy: -236.733 Base-Backbone interact. energy: 0.308 local terms energy: -246.980688 where: bonds (distance) C4'-P energy: -47.871 bonds (distance) P-C4' energy: -49.089 flat angles C4'-P-C4' energy: -48.915 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -63.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -650.055060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.055060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.055060 (E_RNA) where: Base-Base interactions energy: -418.207 where: short stacking energy: -198.631 Base-Backbone interact. energy: -0.131 local terms energy: -231.716254 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -52.237 flat angles P-C4'-P energy: -37.127 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -545.590538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.590538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.590538 (E_RNA) where: Base-Base interactions energy: -357.382 where: short stacking energy: -143.820 Base-Backbone interact. energy: -0.591 local terms energy: -187.617853 where: bonds (distance) C4'-P energy: -52.052 bonds (distance) P-C4' energy: -51.177 flat angles C4'-P-C4' energy: -38.440 flat angles P-C4'-P energy: -30.964 tors. eta vs tors. theta energy: -14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -482.312630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.312630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.312630 (E_RNA) where: Base-Base interactions energy: -282.859 where: short stacking energy: -139.344 Base-Backbone interact. energy: -1.469 local terms energy: -197.985277 where: bonds (distance) C4'-P energy: -53.314 bonds (distance) P-C4' energy: -55.015 flat angles C4'-P-C4' energy: -36.956 flat angles P-C4'-P energy: -32.524 tors. eta vs tors. theta energy: -20.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -370.583036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.583036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.583036 (E_RNA) where: Base-Base interactions energy: -213.188 where: short stacking energy: -102.619 Base-Backbone interact. energy: 0.374 local terms energy: -157.768811 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -46.220 flat angles C4'-P-C4' energy: -36.985 flat angles P-C4'-P energy: -17.933 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1055.544104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.544104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.544104 (E_RNA) where: Base-Base interactions energy: -741.136 where: short stacking energy: -324.673 Base-Backbone interact. energy: -1.238 local terms energy: -313.169627 where: bonds (distance) C4'-P energy: -63.499 bonds (distance) P-C4' energy: -53.001 flat angles C4'-P-C4' energy: -68.208 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -81.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -998.368031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.368031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.368031 (E_RNA) where: Base-Base interactions energy: -675.026 where: short stacking energy: -304.591 Base-Backbone interact. energy: -1.442 local terms energy: -321.899310 where: bonds (distance) C4'-P energy: -62.522 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -93.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -992.030432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.030432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.030432 (E_RNA) where: Base-Base interactions energy: -689.081 where: short stacking energy: -294.966 Base-Backbone interact. energy: -1.412 local terms energy: -301.537725 where: bonds (distance) C4'-P energy: -55.265 bonds (distance) P-C4' energy: -55.055 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -84.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -930.006127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.006127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.006127 (E_RNA) where: Base-Base interactions energy: -640.953 where: short stacking energy: -278.066 Base-Backbone interact. energy: 1.682 local terms energy: -290.735122 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -61.913 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -74.302 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: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -830.515764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.515764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.515764 (E_RNA) where: Base-Base interactions energy: -580.147 where: short stacking energy: -230.879 Base-Backbone interact. energy: -1.849 local terms energy: -248.519561 where: bonds (distance) C4'-P energy: -52.971 bonds (distance) P-C4' energy: -52.319 flat angles C4'-P-C4' energy: -48.240 flat angles P-C4'-P energy: -33.595 tors. eta vs tors. theta energy: -61.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -842.461570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.461570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.461570 (E_RNA) where: Base-Base interactions energy: -578.441 where: short stacking energy: -255.963 Base-Backbone interact. energy: 0.898 local terms energy: -264.918770 where: bonds (distance) C4'-P energy: -48.674 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -52.646 flat angles P-C4'-P energy: -37.118 tors. eta vs tors. theta energy: -68.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -678.771338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.771338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.771338 (E_RNA) where: Base-Base interactions energy: -436.619 where: short stacking energy: -204.492 Base-Backbone interact. energy: 0.978 local terms energy: -243.129657 where: bonds (distance) C4'-P energy: -47.259 bonds (distance) P-C4' energy: -47.883 flat angles C4'-P-C4' energy: -57.584 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -49.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -552.388310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.388310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.388310 (E_RNA) where: Base-Base interactions energy: -343.531 where: short stacking energy: -165.432 Base-Backbone interact. energy: -1.601 local terms energy: -207.256641 where: bonds (distance) C4'-P energy: -42.444 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -52.155 flat angles P-C4'-P energy: -27.587 tors. eta vs tors. theta energy: -27.502 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: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -484.508452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.508452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.508452 (E_RNA) where: Base-Base interactions energy: -306.806 where: short stacking energy: -156.383 Base-Backbone interact. energy: -0.684 local terms energy: -177.018544 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -48.148 flat angles C4'-P-C4' energy: -46.404 flat angles P-C4'-P energy: -17.865 tors. eta vs tors. theta energy: -13.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -366.581826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.581826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.581826 (E_RNA) where: Base-Base interactions energy: -208.490 where: short stacking energy: -105.739 Base-Backbone interact. energy: 0.299 local terms energy: -158.390667 where: bonds (distance) C4'-P energy: -46.048 bonds (distance) P-C4' energy: -45.177 flat angles C4'-P-C4' energy: -41.581 flat angles P-C4'-P energy: -22.698 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1041.389367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.389367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.389367 (E_RNA) where: Base-Base interactions energy: -725.505 where: short stacking energy: -307.167 Base-Backbone interact. energy: -1.240 local terms energy: -314.644716 where: bonds (distance) C4'-P energy: -55.227 bonds (distance) P-C4' energy: -63.166 flat angles C4'-P-C4' energy: -67.288 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -81.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -985.034072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.034072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.034072 (E_RNA) where: Base-Base interactions energy: -686.859 where: short stacking energy: -289.083 Base-Backbone interact. energy: 5.382 local terms energy: -303.556396 where: bonds (distance) C4'-P energy: -59.937 bonds (distance) P-C4' energy: -54.201 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -76.757 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -975.582436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.582436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.582436 (E_RNA) where: Base-Base interactions energy: -682.433 where: short stacking energy: -290.817 Base-Backbone interact. energy: -0.977 local terms energy: -292.172355 where: bonds (distance) C4'-P energy: -51.204 bonds (distance) P-C4' energy: -61.515 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: -73.495 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: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -915.798137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.798137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.798137 (E_RNA) where: Base-Base interactions energy: -638.559 where: short stacking energy: -257.608 Base-Backbone interact. energy: 0.301 local terms energy: -277.540459 where: bonds (distance) C4'-P energy: -60.309 bonds (distance) P-C4' energy: -54.667 flat angles C4'-P-C4' energy: -57.992 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -63.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -856.752425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.752425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.752425 (E_RNA) where: Base-Base interactions energy: -594.291 where: short stacking energy: -236.169 Base-Backbone interact. energy: -1.875 local terms energy: -260.585847 where: bonds (distance) C4'-P energy: -54.707 bonds (distance) P-C4' energy: -62.015 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -29.413 tors. eta vs tors. theta energy: -62.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -845.131830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.131830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.131830 (E_RNA) where: Base-Base interactions energy: -585.184 where: short stacking energy: -251.835 Base-Backbone interact. energy: -0.458 local terms energy: -259.490559 where: bonds (distance) C4'-P energy: -35.201 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -63.451 flat angles P-C4'-P energy: -27.116 tors. eta vs tors. theta energy: -76.142 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: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -651.752980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.752980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.752980 (E_RNA) where: Base-Base interactions energy: -422.483 where: short stacking energy: -188.727 Base-Backbone interact. energy: 1.059 local terms energy: -230.329204 where: bonds (distance) C4'-P energy: -50.075 bonds (distance) P-C4' energy: -41.629 flat angles C4'-P-C4' energy: -52.483 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -44.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -591.548799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.548799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.548799 (E_RNA) where: Base-Base interactions energy: -385.313 where: short stacking energy: -180.948 Base-Backbone interact. energy: -0.670 local terms energy: -205.566615 where: bonds (distance) C4'-P energy: -39.097 bonds (distance) P-C4' energy: -49.545 flat angles C4'-P-C4' energy: -51.808 flat angles P-C4'-P energy: -30.252 tors. eta vs tors. theta energy: -34.864 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -476.037012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.037012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.037012 (E_RNA) where: Base-Base interactions energy: -278.573 where: short stacking energy: -130.049 Base-Backbone interact. energy: -0.788 local terms energy: -196.676491 where: bonds (distance) C4'-P energy: -42.638 bonds (distance) P-C4' energy: -44.958 flat angles C4'-P-C4' energy: -43.340 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -20.025 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: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -372.874443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.874443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.874443 (E_RNA) where: Base-Base interactions energy: -200.838 where: short stacking energy: -103.964 Base-Backbone interact. energy: -1.952 local terms energy: -170.084846 where: bonds (distance) C4'-P energy: -49.900 bonds (distance) P-C4' energy: -47.601 flat angles C4'-P-C4' energy: -36.854 flat angles P-C4'-P energy: -26.609 tors. eta vs tors. theta energy: -9.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1041.570214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.570214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.570214 (E_RNA) where: Base-Base interactions energy: -735.017 where: short stacking energy: -305.319 Base-Backbone interact. energy: -0.979 local terms energy: -305.573941 where: bonds (distance) C4'-P energy: -52.846 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -83.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -988.305446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.305446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.305446 (E_RNA) where: Base-Base interactions energy: -698.216 where: short stacking energy: -288.267 Base-Backbone interact. energy: -0.971 local terms energy: -289.118589 where: bonds (distance) C4'-P energy: -52.910 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -60.645 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -978.803136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.803136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.803136 (E_RNA) where: Base-Base interactions energy: -678.529 where: short stacking energy: -293.117 Base-Backbone interact. energy: -2.423 local terms energy: -297.851342 where: bonds (distance) C4'-P energy: -48.309 bonds (distance) P-C4' energy: -60.032 flat angles C4'-P-C4' energy: -64.083 flat angles P-C4'-P energy: -40.425 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: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -933.515887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.515887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.515887 (E_RNA) where: Base-Base interactions energy: -659.029 where: short stacking energy: -273.341 Base-Backbone interact. energy: -0.423 local terms energy: -274.064118 where: bonds (distance) C4'-P energy: -43.829 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -56.812 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -72.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -904.289851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.289851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.289851 (E_RNA) where: Base-Base interactions energy: -636.392 where: short stacking energy: -266.392 Base-Backbone interact. energy: 0.274 local terms energy: -268.172066 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -51.062 flat angles C4'-P-C4' energy: -55.209 flat angles P-C4'-P energy: -37.813 tors. eta vs tors. theta energy: -69.285 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -810.702742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.702742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.702742 (E_RNA) where: Base-Base interactions energy: -558.383 where: short stacking energy: -242.587 Base-Backbone interact. energy: 5.408 local terms energy: -257.726924 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -54.014 flat angles C4'-P-C4' energy: -48.190 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: -63.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -683.502991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.502991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.502991 (E_RNA) where: Base-Base interactions energy: -445.981 where: short stacking energy: -202.350 Base-Backbone interact. energy: -0.148 local terms energy: -237.374950 where: bonds (distance) C4'-P energy: -49.452 bonds (distance) P-C4' energy: -53.465 flat angles C4'-P-C4' energy: -54.394 flat angles P-C4'-P energy: -36.666 tors. eta vs tors. theta energy: -43.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -598.966434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.966434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.966434 (E_RNA) where: Base-Base interactions energy: -400.851 where: short stacking energy: -182.509 Base-Backbone interact. energy: 0.188 local terms energy: -198.303584 where: bonds (distance) C4'-P energy: -46.484 bonds (distance) P-C4' energy: -40.875 flat angles C4'-P-C4' energy: -57.180 flat angles P-C4'-P energy: -17.438 tors. eta vs tors. theta energy: -36.327 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: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -444.187862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.187862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.187862 (E_RNA) where: Base-Base interactions energy: -252.949 where: short stacking energy: -122.021 Base-Backbone interact. energy: -0.327 local terms energy: -190.911388 where: bonds (distance) C4'-P energy: -49.327 bonds (distance) P-C4' energy: -42.950 flat angles C4'-P-C4' energy: -42.129 flat angles P-C4'-P energy: -35.377 tors. eta vs tors. theta energy: -21.128 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: 192 Temperature: 1.350000 Total energy: -367.488167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.488167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.488167 (E_RNA) where: Base-Base interactions energy: -175.721 where: short stacking energy: -100.030 Base-Backbone interact. energy: 0.521 local terms energy: -192.287952 where: bonds (distance) C4'-P energy: -53.926 bonds (distance) P-C4' energy: -51.477 flat angles C4'-P-C4' energy: -48.608 flat angles P-C4'-P energy: -24.007 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1047.889373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.889373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.889373 (E_RNA) where: Base-Base interactions energy: -740.445 where: short stacking energy: -311.983 Base-Backbone interact. energy: -0.570 local terms energy: -306.873903 where: bonds (distance) C4'-P energy: -53.668 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -85.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -988.176457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.176457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.176457 (E_RNA) where: Base-Base interactions energy: -699.933 where: short stacking energy: -288.998 Base-Backbone interact. energy: -2.154 local terms energy: -286.089242 where: bonds (distance) C4'-P energy: -53.075 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -60.100 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -79.959 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: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -992.956684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.956684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.956684 (E_RNA) where: Base-Base interactions energy: -684.199 where: short stacking energy: -311.517 Base-Backbone interact. energy: -1.014 local terms energy: -307.744626 where: bonds (distance) C4'-P energy: -51.310 bonds (distance) P-C4' energy: -55.685 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -87.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -906.703397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.703397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.703397 (E_RNA) where: Base-Base interactions energy: -623.416 where: short stacking energy: -260.955 Base-Backbone interact. energy: -0.566 local terms energy: -282.722077 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -60.607 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -71.918 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: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -895.830995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.830995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.830995 (E_RNA) where: Base-Base interactions energy: -640.156 where: short stacking energy: -249.901 Base-Backbone interact. energy: -1.129 local terms energy: -254.546024 where: bonds (distance) C4'-P energy: -54.292 bonds (distance) P-C4' energy: -46.958 flat angles C4'-P-C4' energy: -61.596 flat angles P-C4'-P energy: -29.055 tors. eta vs tors. theta energy: -62.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -862.954804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.954804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.954804 (E_RNA) where: Base-Base interactions energy: -604.496 where: short stacking energy: -269.145 Base-Backbone interact. energy: -0.457 local terms energy: -258.002497 where: bonds (distance) C4'-P energy: -33.320 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -28.949 tors. eta vs tors. theta energy: -71.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -634.873614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.873614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.873614 (E_RNA) where: Base-Base interactions energy: -401.976 where: short stacking energy: -187.412 Base-Backbone interact. energy: -0.801 local terms energy: -232.096627 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -53.624 flat angles C4'-P-C4' energy: -45.921 flat angles P-C4'-P energy: -36.212 tors. eta vs tors. theta energy: -38.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -563.330269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.330269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.330269 (E_RNA) where: Base-Base interactions energy: -343.435 where: short stacking energy: -162.031 Base-Backbone interact. energy: -0.021 local terms energy: -219.874311 where: bonds (distance) C4'-P energy: -67.038 bonds (distance) P-C4' energy: -45.958 flat angles C4'-P-C4' energy: -43.416 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: -29.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -490.626216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.626216 (E_RNA) where: Base-Base interactions energy: -289.322 where: short stacking energy: -146.819 Base-Backbone interact. energy: 1.167 local terms energy: -202.471552 where: bonds (distance) C4'-P energy: -39.776 bonds (distance) P-C4' energy: -52.524 flat angles C4'-P-C4' energy: -44.364 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: -29.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -379.407092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.407092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.407092 (E_RNA) where: Base-Base interactions energy: -215.989 where: short stacking energy: -110.649 Base-Backbone interact. energy: 3.195 local terms energy: -166.612725 where: bonds (distance) C4'-P energy: -41.020 bonds (distance) P-C4' energy: -55.476 flat angles C4'-P-C4' energy: -37.162 flat angles P-C4'-P energy: -25.659 tors. eta vs tors. theta energy: -7.295 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: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1045.738916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.738916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.738916 (E_RNA) where: Base-Base interactions energy: -747.664 where: short stacking energy: -310.821 Base-Backbone interact. energy: -2.555 local terms energy: -295.520474 where: bonds (distance) C4'-P energy: -51.337 bonds (distance) P-C4' energy: -56.032 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -86.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -966.389075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.389075 (E_RNA) where: Base-Base interactions energy: -672.687 where: short stacking energy: -264.537 Base-Backbone interact. energy: -1.220 local terms energy: -292.481367 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -66.584 flat angles P-C4'-P energy: -43.597 tors. eta vs tors. theta energy: -69.013 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: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -988.603221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.603221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.603221 (E_RNA) where: Base-Base interactions energy: -676.725 where: short stacking energy: -287.672 Base-Backbone interact. energy: -1.419 local terms energy: -310.459148 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -59.050 flat angles P-C4'-P energy: -42.574 tors. eta vs tors. theta energy: -89.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -900.811524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.811524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.811524 (E_RNA) where: Base-Base interactions energy: -622.778 where: short stacking energy: -265.897 Base-Backbone interact. energy: -0.935 local terms energy: -277.098535 where: bonds (distance) C4'-P energy: -50.352 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -53.498 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -68.358 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: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -908.948476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.948476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.948476 (E_RNA) where: Base-Base interactions energy: -627.440 where: short stacking energy: -275.313 Base-Backbone interact. energy: -0.825 local terms energy: -280.683246 where: bonds (distance) C4'-P energy: -49.725 bonds (distance) P-C4' energy: -52.689 flat angles C4'-P-C4' energy: -64.296 flat angles P-C4'-P energy: -40.655 tors. eta vs tors. theta energy: -73.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -836.127350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.127350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.127350 (E_RNA) where: Base-Base interactions energy: -572.671 where: short stacking energy: -243.801 Base-Backbone interact. energy: -0.551 local terms energy: -262.904802 where: bonds (distance) C4'-P energy: -51.336 bonds (distance) P-C4' energy: -50.094 flat angles C4'-P-C4' energy: -57.202 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: -65.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -650.515505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.515505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.515505 (E_RNA) where: Base-Base interactions energy: -415.610 where: short stacking energy: -197.679 Base-Backbone interact. energy: -1.290 local terms energy: -233.615520 where: bonds (distance) C4'-P energy: -54.417 bonds (distance) P-C4' energy: -44.718 flat angles C4'-P-C4' energy: -51.250 flat angles P-C4'-P energy: -36.745 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: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -620.044361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.044361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.044361 (E_RNA) where: Base-Base interactions energy: -406.838 where: short stacking energy: -178.150 Base-Backbone interact. energy: -0.537 local terms energy: -212.669253 where: bonds (distance) C4'-P energy: -50.141 bonds (distance) P-C4' energy: -46.515 flat angles C4'-P-C4' energy: -49.357 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -33.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -502.263445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.263445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.263445 (E_RNA) where: Base-Base interactions energy: -305.933 where: short stacking energy: -144.394 Base-Backbone interact. energy: -0.675 local terms energy: -195.655579 where: bonds (distance) C4'-P energy: -43.437 bonds (distance) P-C4' energy: -51.566 flat angles C4'-P-C4' energy: -44.568 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -23.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -354.785223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.785223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.785223 (E_RNA) where: Base-Base interactions energy: -190.637 where: short stacking energy: -105.938 Base-Backbone interact. energy: -0.515 local terms energy: -163.633077 where: bonds (distance) C4'-P energy: -36.854 bonds (distance) P-C4' energy: -57.162 flat angles C4'-P-C4' energy: -48.159 flat angles P-C4'-P energy: -26.170 tors. eta vs tors. theta energy: 4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1045.555663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.555663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.555663 (E_RNA) where: Base-Base interactions energy: -730.126 where: short stacking energy: -302.008 Base-Backbone interact. energy: -0.678 local terms energy: -314.751430 where: bonds (distance) C4'-P energy: -50.954 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -71.888 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: -83.529 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: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -970.243248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.243248 (E_RNA) where: Base-Base interactions energy: -671.671 where: short stacking energy: -253.397 Base-Backbone interact. energy: -1.633 local terms energy: -296.939334 where: bonds (distance) C4'-P energy: -59.794 bonds (distance) P-C4' energy: -53.330 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -75.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -988.618151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.618151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.618151 (E_RNA) where: Base-Base interactions energy: -676.238 where: short stacking energy: -302.376 Base-Backbone interact. energy: -2.120 local terms energy: -310.259972 where: bonds (distance) C4'-P energy: -58.263 bonds (distance) P-C4' energy: -60.109 flat angles C4'-P-C4' energy: -63.698 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -85.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -917.104045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.104045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.104045 (E_RNA) where: Base-Base interactions energy: -640.105 where: short stacking energy: -257.423 Base-Backbone interact. energy: -3.433 local terms energy: -273.565768 where: bonds (distance) C4'-P energy: -51.567 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -59.430 flat angles P-C4'-P energy: -31.436 tors. eta vs tors. theta energy: -68.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -877.564366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.564366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.564366 (E_RNA) where: Base-Base interactions energy: -595.176 where: short stacking energy: -260.755 Base-Backbone interact. energy: -1.930 local terms energy: -280.457987 where: bonds (distance) C4'-P energy: -38.773 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -66.356 flat angles P-C4'-P energy: -33.282 tors. eta vs tors. theta energy: -82.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -817.512108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.512108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.512108 (E_RNA) where: Base-Base interactions energy: -550.661 where: short stacking energy: -249.133 Base-Backbone interact. energy: -0.051 local terms energy: -266.800383 where: bonds (distance) C4'-P energy: -58.594 bonds (distance) P-C4' energy: -52.957 flat angles C4'-P-C4' energy: -59.683 flat angles P-C4'-P energy: -26.884 tors. eta vs tors. theta energy: -68.683 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: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -645.651708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.651708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.651708 (E_RNA) where: Base-Base interactions energy: -414.781 where: short stacking energy: -205.767 Base-Backbone interact. energy: 7.392 local terms energy: -238.263149 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -53.976 flat angles C4'-P-C4' energy: -58.340 flat angles P-C4'-P energy: -30.593 tors. eta vs tors. theta energy: -41.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -517.307782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.307782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.307782 (E_RNA) where: Base-Base interactions energy: -323.832 where: short stacking energy: -159.677 Base-Backbone interact. energy: 0.682 local terms energy: -194.157106 where: bonds (distance) C4'-P energy: -43.723 bonds (distance) P-C4' energy: -40.913 flat angles C4'-P-C4' energy: -53.986 flat angles P-C4'-P energy: -24.407 tors. eta vs tors. theta energy: -31.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -601.828072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.828072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.828072 (E_RNA) where: Base-Base interactions energy: -405.739 where: short stacking energy: -168.502 Base-Backbone interact. energy: -2.151 local terms energy: -193.938302 where: bonds (distance) C4'-P energy: -37.200 bonds (distance) P-C4' energy: -52.259 flat angles C4'-P-C4' energy: -45.621 flat angles P-C4'-P energy: -31.652 tors. eta vs tors. theta energy: -27.206 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: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -346.616496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.616496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.616496 (E_RNA) where: Base-Base interactions energy: -192.184 where: short stacking energy: -112.585 Base-Backbone interact. energy: -0.693 local terms energy: -153.739421 where: bonds (distance) C4'-P energy: -39.777 bonds (distance) P-C4' energy: -49.652 flat angles C4'-P-C4' energy: -34.801 flat angles P-C4'-P energy: -19.751 tors. eta vs tors. theta energy: -9.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1051.882539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.882539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.882539 (E_RNA) where: Base-Base interactions energy: -735.591 where: short stacking energy: -294.812 Base-Backbone interact. energy: -0.718 local terms energy: -315.573091 where: bonds (distance) C4'-P energy: -65.328 bonds (distance) P-C4' energy: -58.422 flat angles C4'-P-C4' energy: -64.089 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -81.282 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: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -988.833902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.833902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.833902 (E_RNA) where: Base-Base interactions energy: -686.532 where: short stacking energy: -272.876 Base-Backbone interact. energy: -2.535 local terms energy: -299.766186 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -64.826 flat angles C4'-P-C4' energy: -59.619 flat angles P-C4'-P energy: -37.969 tors. eta vs tors. theta energy: -74.095 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -965.247732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.247732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.247732 (E_RNA) where: Base-Base interactions energy: -657.381 where: short stacking energy: -272.248 Base-Backbone interact. energy: -1.500 local terms energy: -306.366637 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -61.936 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: -86.640 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: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -908.586038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.586038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.586038 (E_RNA) where: Base-Base interactions energy: -632.218 where: short stacking energy: -250.337 Base-Backbone interact. energy: 0.594 local terms energy: -276.961926 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -53.282 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -42.660 tors. eta vs tors. theta energy: -69.619 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: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -861.480287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.480287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.480287 (E_RNA) where: Base-Base interactions energy: -602.305 where: short stacking energy: -243.713 Base-Backbone interact. energy: -1.698 local terms energy: -257.477547 where: bonds (distance) C4'-P energy: -45.162 bonds (distance) P-C4' energy: -51.248 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -63.930 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: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -833.604736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.604736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.604736 (E_RNA) where: Base-Base interactions energy: -571.700 where: short stacking energy: -242.840 Base-Backbone interact. energy: 0.624 local terms energy: -262.528620 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -48.902 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -32.188 tors. eta vs tors. theta energy: -68.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -669.826125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.826125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.826125 (E_RNA) where: Base-Base interactions energy: -437.154 where: short stacking energy: -208.627 Base-Backbone interact. energy: -0.609 local terms energy: -232.063100 where: bonds (distance) C4'-P energy: -47.414 bonds (distance) P-C4' energy: -50.729 flat angles C4'-P-C4' energy: -58.044 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -37.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -511.951783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.951783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.951783 (E_RNA) where: Base-Base interactions energy: -307.925 where: short stacking energy: -151.970 Base-Backbone interact. energy: 0.713 local terms energy: -204.739178 where: bonds (distance) C4'-P energy: -50.803 bonds (distance) P-C4' energy: -49.937 flat angles C4'-P-C4' energy: -48.727 flat angles P-C4'-P energy: -30.961 tors. eta vs tors. theta energy: -24.310 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: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -587.576505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.576505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.576505 (E_RNA) where: Base-Base interactions energy: -377.147 where: short stacking energy: -182.383 Base-Backbone interact. energy: 1.569 local terms energy: -211.999448 where: bonds (distance) C4'-P energy: -40.628 bonds (distance) P-C4' energy: -54.689 flat angles C4'-P-C4' energy: -45.979 flat angles P-C4'-P energy: -32.738 tors. eta vs tors. theta energy: -37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -350.594178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.594178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.594178 (E_RNA) where: Base-Base interactions energy: -187.984 where: short stacking energy: -108.293 Base-Backbone interact. energy: -0.944 local terms energy: -161.666725 where: bonds (distance) C4'-P energy: -49.513 bonds (distance) P-C4' energy: -45.199 flat angles C4'-P-C4' energy: -41.546 flat angles P-C4'-P energy: -16.000 tors. eta vs tors. theta energy: -9.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1050.989220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.989220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.989220 (E_RNA) where: Base-Base interactions energy: -730.455 where: short stacking energy: -310.466 Base-Backbone interact. energy: -1.976 local terms energy: -318.558595 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -56.553 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -48.295 tors. eta vs tors. theta energy: -84.305 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: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1004.322565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.322565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.322565 (E_RNA) where: Base-Base interactions energy: -698.901 where: short stacking energy: -307.555 Base-Backbone interact. energy: -1.272 local terms energy: -304.150275 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -55.781 flat angles C4'-P-C4' energy: -60.783 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -90.332 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: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -972.856995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.856995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.856995 (E_RNA) where: Base-Base interactions energy: -677.565 where: short stacking energy: -262.376 Base-Backbone interact. energy: -1.684 local terms energy: -293.608246 where: bonds (distance) C4'-P energy: -54.483 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -58.661 flat angles P-C4'-P energy: -46.166 tors. eta vs tors. theta energy: -74.947 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: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -894.207926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.207926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.207926 (E_RNA) where: Base-Base interactions energy: -600.356 where: short stacking energy: -256.406 Base-Backbone interact. energy: -0.835 local terms energy: -293.016846 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -50.892 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -43.400 tors. eta vs tors. theta energy: -81.482 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: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -898.050054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.050054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.050054 (E_RNA) where: Base-Base interactions energy: -632.267 where: short stacking energy: -252.936 Base-Backbone interact. energy: 0.211 local terms energy: -265.994422 where: bonds (distance) C4'-P energy: -48.462 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -58.795 flat angles P-C4'-P energy: -31.932 tors. eta vs tors. theta energy: -67.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -828.603360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.603360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.603360 (E_RNA) where: Base-Base interactions energy: -569.318 where: short stacking energy: -244.365 Base-Backbone interact. energy: -1.780 local terms energy: -257.505655 where: bonds (distance) C4'-P energy: -50.292 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -54.585 flat angles P-C4'-P energy: -31.285 tors. eta vs tors. theta energy: -58.722 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: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -685.070806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.070806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.070806 (E_RNA) where: Base-Base interactions energy: -448.966 where: short stacking energy: -200.056 Base-Backbone interact. energy: 0.751 local terms energy: -236.855319 where: bonds (distance) C4'-P energy: -47.201 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -46.310 flat angles P-C4'-P energy: -43.253 tors. eta vs tors. theta energy: -43.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -593.697176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.697176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.697176 (E_RNA) where: Base-Base interactions energy: -384.602 where: short stacking energy: -167.244 Base-Backbone interact. energy: -0.847 local terms energy: -208.247634 where: bonds (distance) C4'-P energy: -44.843 bonds (distance) P-C4' energy: -47.703 flat angles C4'-P-C4' energy: -48.500 flat angles P-C4'-P energy: -28.677 tors. eta vs tors. theta energy: -38.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -516.416329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.416329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.416329 (E_RNA) where: Base-Base interactions energy: -319.191 where: short stacking energy: -157.020 Base-Backbone interact. energy: 0.104 local terms energy: -197.328621 where: bonds (distance) C4'-P energy: -48.909 bonds (distance) P-C4' energy: -47.517 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -31.981 tors. eta vs tors. theta energy: -19.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -459.541387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.541387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.541387 (E_RNA) where: Base-Base interactions energy: -258.286 where: short stacking energy: -134.598 Base-Backbone interact. energy: -1.172 local terms energy: -200.083623 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -52.986 flat angles C4'-P-C4' energy: -45.067 flat angles P-C4'-P energy: -23.023 tors. eta vs tors. theta energy: -24.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1036.682637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.682637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.682637 (E_RNA) where: Base-Base interactions energy: -729.456 where: short stacking energy: -277.430 Base-Backbone interact. energy: -1.712 local terms energy: -305.514860 where: bonds (distance) C4'-P energy: -56.961 bonds (distance) P-C4' energy: -59.461 flat angles C4'-P-C4' energy: -67.256 flat angles P-C4'-P energy: -42.500 tors. eta vs tors. theta energy: -79.337 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: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -992.386808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.386808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.386808 (E_RNA) where: Base-Base interactions energy: -677.315 where: short stacking energy: -294.003 Base-Backbone interact. energy: 0.705 local terms energy: -315.776977 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -42.191 tors. eta vs tors. theta energy: -90.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -952.627038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.627038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.627038 (E_RNA) where: Base-Base interactions energy: -681.776 where: short stacking energy: -273.761 Base-Backbone interact. energy: -1.312 local terms energy: -269.538923 where: bonds (distance) C4'-P energy: -42.784 bonds (distance) P-C4' energy: -53.474 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: -71.987 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: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -868.122298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.122298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.122298 (E_RNA) where: Base-Base interactions energy: -586.616 where: short stacking energy: -247.957 Base-Backbone interact. energy: 1.183 local terms energy: -282.689663 where: bonds (distance) C4'-P energy: -52.428 bonds (distance) P-C4' energy: -68.231 flat angles C4'-P-C4' energy: -64.087 flat angles P-C4'-P energy: -33.708 tors. eta vs tors. theta energy: -64.237 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: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -882.579875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.579875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.579875 (E_RNA) where: Base-Base interactions energy: -622.707 where: short stacking energy: -243.206 Base-Backbone interact. energy: 1.402 local terms energy: -261.275545 where: bonds (distance) C4'-P energy: -53.791 bonds (distance) P-C4' energy: -53.933 flat angles C4'-P-C4' energy: -57.544 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -59.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -838.682309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.682309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.682309 (E_RNA) where: Base-Base interactions energy: -580.555 where: short stacking energy: -247.154 Base-Backbone interact. energy: -0.596 local terms energy: -257.531467 where: bonds (distance) C4'-P energy: -43.312 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -65.666 flat angles P-C4'-P energy: -31.317 tors. eta vs tors. theta energy: -59.816 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: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -642.027560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.027560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.027560 (E_RNA) where: Base-Base interactions energy: -439.527 where: short stacking energy: -186.820 Base-Backbone interact. energy: 0.740 local terms energy: -203.239971 where: bonds (distance) C4'-P energy: -35.359 bonds (distance) P-C4' energy: -53.265 flat angles C4'-P-C4' energy: -56.401 flat angles P-C4'-P energy: -20.327 tors. eta vs tors. theta energy: -37.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -625.797692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.797692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.797692 (E_RNA) where: Base-Base interactions energy: -397.851 where: short stacking energy: -176.491 Base-Backbone interact. energy: 1.891 local terms energy: -229.838119 where: bonds (distance) C4'-P energy: -58.688 bonds (distance) P-C4' energy: -53.698 flat angles C4'-P-C4' energy: -50.692 flat angles P-C4'-P energy: -25.378 tors. eta vs tors. theta energy: -41.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -495.086415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.086415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.086415 (E_RNA) where: Base-Base interactions energy: -274.698 where: short stacking energy: -150.496 Base-Backbone interact. energy: -0.508 local terms energy: -219.880426 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -55.250 flat angles C4'-P-C4' energy: -51.023 flat angles P-C4'-P energy: -30.214 tors. eta vs tors. theta energy: -33.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -457.711713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.711713 (E_RNA) where: Base-Base interactions energy: -271.551 where: short stacking energy: -128.381 Base-Backbone interact. energy: -2.193 local terms energy: -183.968263 where: bonds (distance) C4'-P energy: -47.177 bonds (distance) P-C4' energy: -45.767 flat angles C4'-P-C4' energy: -43.849 flat angles P-C4'-P energy: -31.577 tors. eta vs tors. theta energy: -15.599 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1056.114539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.114539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.114539 (E_RNA) where: Base-Base interactions energy: -751.339 where: short stacking energy: -303.059 Base-Backbone interact. energy: -1.936 local terms energy: -302.840102 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -57.921 flat angles C4'-P-C4' energy: -63.840 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -81.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1007.788304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.788304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.788304 (E_RNA) where: Base-Base interactions energy: -694.208 where: short stacking energy: -312.509 Base-Backbone interact. energy: 2.153 local terms energy: -315.732862 where: bonds (distance) C4'-P energy: -49.931 bonds (distance) P-C4' energy: -66.807 flat angles C4'-P-C4' energy: -66.267 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -86.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -976.486370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.486370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.486370 (E_RNA) where: Base-Base interactions energy: -689.303 where: short stacking energy: -265.276 Base-Backbone interact. energy: -3.063 local terms energy: -284.120375 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -53.331 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -76.327 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: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -908.195064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.195064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.195064 (E_RNA) where: Base-Base interactions energy: -639.191 where: short stacking energy: -262.015 Base-Backbone interact. energy: -0.923 local terms energy: -268.080809 where: bonds (distance) C4'-P energy: -40.238 bonds (distance) P-C4' energy: -65.673 flat angles C4'-P-C4' energy: -56.316 flat angles P-C4'-P energy: -37.299 tors. eta vs tors. theta energy: -68.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -839.852220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.852220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.852220 (E_RNA) where: Base-Base interactions energy: -584.778 where: short stacking energy: -241.186 Base-Backbone interact. energy: -0.575 local terms energy: -254.499500 where: bonds (distance) C4'-P energy: -49.001 bonds (distance) P-C4' energy: -50.691 flat angles C4'-P-C4' energy: -55.461 flat angles P-C4'-P energy: -42.663 tors. eta vs tors. theta energy: -56.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -805.623789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.623789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.623789 (E_RNA) where: Base-Base interactions energy: -551.943 where: short stacking energy: -230.092 Base-Backbone interact. energy: -0.708 local terms energy: -252.972950 where: bonds (distance) C4'-P energy: -45.533 bonds (distance) P-C4' energy: -48.298 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -29.690 tors. eta vs tors. theta energy: -64.803 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: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -733.457724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.457724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.457724 (E_RNA) where: Base-Base interactions energy: -500.569 where: short stacking energy: -218.453 Base-Backbone interact. energy: -2.097 local terms energy: -230.791247 where: bonds (distance) C4'-P energy: -40.181 bonds (distance) P-C4' energy: -56.429 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -26.883 tors. eta vs tors. theta energy: -55.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -619.967373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.967373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.967373 (E_RNA) where: Base-Base interactions energy: -400.683 where: short stacking energy: -195.720 Base-Backbone interact. energy: 0.853 local terms energy: -220.137235 where: bonds (distance) C4'-P energy: -42.711 bonds (distance) P-C4' energy: -44.398 flat angles C4'-P-C4' energy: -54.768 flat angles P-C4'-P energy: -33.578 tors. eta vs tors. theta energy: -44.683 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: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -487.265114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.265114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.265114 (E_RNA) where: Base-Base interactions energy: -297.217 where: short stacking energy: -152.342 Base-Backbone interact. energy: 0.916 local terms energy: -190.964556 where: bonds (distance) C4'-P energy: -40.387 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -40.766 flat angles P-C4'-P energy: -26.436 tors. eta vs tors. theta energy: -24.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -482.068963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.068963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.068963 (E_RNA) where: Base-Base interactions energy: -303.105 where: short stacking energy: -134.440 Base-Backbone interact. energy: -1.488 local terms energy: -177.476497 where: bonds (distance) C4'-P energy: -32.056 bonds (distance) P-C4' energy: -47.334 flat angles C4'-P-C4' energy: -53.264 flat angles P-C4'-P energy: -24.973 tors. eta vs tors. theta energy: -19.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1040.970538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.970538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.970538 (E_RNA) where: Base-Base interactions energy: -727.730 where: short stacking energy: -288.983 Base-Backbone interact. energy: -3.296 local terms energy: -309.945286 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -56.612 flat angles C4'-P-C4' energy: -64.782 flat angles P-C4'-P energy: -47.439 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: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -967.383396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.383396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.383396 (E_RNA) where: Base-Base interactions energy: -668.101 where: short stacking energy: -289.842 Base-Backbone interact. energy: -0.099 local terms energy: -299.183471 where: bonds (distance) C4'-P energy: -48.216 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -42.778 tors. eta vs tors. theta energy: -83.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -936.866478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.866478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.866478 (E_RNA) where: Base-Base interactions energy: -648.973 where: short stacking energy: -263.282 Base-Backbone interact. energy: 1.958 local terms energy: -289.851797 where: bonds (distance) C4'-P energy: -55.083 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -69.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -922.546438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.546438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.546438 (E_RNA) where: Base-Base interactions energy: -650.823 where: short stacking energy: -254.844 Base-Backbone interact. energy: -1.941 local terms energy: -269.782125 where: bonds (distance) C4'-P energy: -45.547 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -54.350 flat angles P-C4'-P energy: -36.271 tors. eta vs tors. theta energy: -73.366 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: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -878.914858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.914858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.914858 (E_RNA) where: Base-Base interactions energy: -621.013 where: short stacking energy: -255.822 Base-Backbone interact. energy: -1.597 local terms energy: -256.304511 where: bonds (distance) C4'-P energy: -41.887 bonds (distance) P-C4' energy: -52.739 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -32.719 tors. eta vs tors. theta energy: -67.727 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: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -832.292380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.292380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.292380 (E_RNA) where: Base-Base interactions energy: -576.185 where: short stacking energy: -241.579 Base-Backbone interact. energy: -1.408 local terms energy: -254.699860 where: bonds (distance) C4'-P energy: -34.112 bonds (distance) P-C4' energy: -56.966 flat angles C4'-P-C4' energy: -58.785 flat angles P-C4'-P energy: -42.260 tors. eta vs tors. theta energy: -62.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -721.002058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.002058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.002058 (E_RNA) where: Base-Base interactions energy: -471.452 where: short stacking energy: -200.513 Base-Backbone interact. energy: 3.039 local terms energy: -252.589297 where: bonds (distance) C4'-P energy: -54.543 bonds (distance) P-C4' energy: -50.353 flat angles C4'-P-C4' energy: -61.982 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: -50.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -589.593833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.593833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.593833 (E_RNA) where: Base-Base interactions energy: -363.518 where: short stacking energy: -156.741 Base-Backbone interact. energy: 4.137 local terms energy: -230.212425 where: bonds (distance) C4'-P energy: -50.679 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -56.626 flat angles P-C4'-P energy: -34.614 tors. eta vs tors. theta energy: -30.909 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: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -537.961027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.961027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.961027 (E_RNA) where: Base-Base interactions energy: -349.178 where: short stacking energy: -152.547 Base-Backbone interact. energy: 0.468 local terms energy: -189.250939 where: bonds (distance) C4'-P energy: -43.857 bonds (distance) P-C4' energy: -49.284 flat angles C4'-P-C4' energy: -43.608 flat angles P-C4'-P energy: -22.757 tors. eta vs tors. theta energy: -29.745 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: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -482.928954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.928954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.928954 (E_RNA) where: Base-Base interactions energy: -289.311 where: short stacking energy: -137.566 Base-Backbone interact. energy: -1.099 local terms energy: -192.519133 where: bonds (distance) C4'-P energy: -48.175 bonds (distance) P-C4' energy: -49.775 flat angles C4'-P-C4' energy: -42.287 flat angles P-C4'-P energy: -28.255 tors. eta vs tors. theta energy: -24.026 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: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1048.286247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.286247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.286247 (E_RNA) where: Base-Base interactions energy: -740.491 where: short stacking energy: -300.326 Base-Backbone interact. energy: 0.984 local terms energy: -308.779110 where: bonds (distance) C4'-P energy: -54.815 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -67.248 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -83.396 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: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -963.110839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.110839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.110839 (E_RNA) where: Base-Base interactions energy: -665.753 where: short stacking energy: -288.135 Base-Backbone interact. energy: -0.444 local terms energy: -296.913599 where: bonds (distance) C4'-P energy: -48.341 bonds (distance) P-C4' energy: -53.149 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -87.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -915.167845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.167845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.167845 (E_RNA) where: Base-Base interactions energy: -636.035 where: short stacking energy: -272.293 Base-Backbone interact. energy: -1.091 local terms energy: -278.041972 where: bonds (distance) C4'-P energy: -60.750 bonds (distance) P-C4' energy: -56.343 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -36.556 tors. eta vs tors. theta energy: -64.291 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: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -954.259958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.259958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.259958 (E_RNA) where: Base-Base interactions energy: -676.883 where: short stacking energy: -273.590 Base-Backbone interact. energy: 0.080 local terms energy: -277.457352 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -29.680 tors. eta vs tors. theta energy: -77.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -884.540012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.540012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.540012 (E_RNA) where: Base-Base interactions energy: -600.090 where: short stacking energy: -256.841 Base-Backbone interact. energy: -0.756 local terms energy: -283.693599 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -67.186 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -78.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -822.510854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.510854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.510854 (E_RNA) where: Base-Base interactions energy: -577.761 where: short stacking energy: -240.322 Base-Backbone interact. energy: 0.875 local terms energy: -245.625099 where: bonds (distance) C4'-P energy: -55.437 bonds (distance) P-C4' energy: -49.072 flat angles C4'-P-C4' energy: -56.030 flat angles P-C4'-P energy: -29.605 tors. eta vs tors. theta energy: -55.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -750.872697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.872697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.872697 (E_RNA) where: Base-Base interactions energy: -511.783 where: short stacking energy: -239.954 Base-Backbone interact. energy: -1.488 local terms energy: -237.601464 where: bonds (distance) C4'-P energy: -49.304 bonds (distance) P-C4' energy: -46.826 flat angles C4'-P-C4' energy: -55.185 flat angles P-C4'-P energy: -20.928 tors. eta vs tors. theta energy: -65.358 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: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -533.786928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.786928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.786928 (E_RNA) where: Base-Base interactions energy: -330.856 where: short stacking energy: -153.503 Base-Backbone interact. energy: -0.165 local terms energy: -202.765725 where: bonds (distance) C4'-P energy: -48.089 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -39.941 flat angles P-C4'-P energy: -18.607 tors. eta vs tors. theta energy: -34.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -567.010605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.010605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.010605 (E_RNA) where: Base-Base interactions energy: -344.347 where: short stacking energy: -153.480 Base-Backbone interact. energy: 0.211 local terms energy: -222.874489 where: bonds (distance) C4'-P energy: -57.714 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -45.868 flat angles P-C4'-P energy: -41.587 tors. eta vs tors. theta energy: -26.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -479.333814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.333814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.333814 (E_RNA) where: Base-Base interactions energy: -287.480 where: short stacking energy: -132.942 Base-Backbone interact. energy: -0.928 local terms energy: -190.925299 where: bonds (distance) C4'-P energy: -50.239 bonds (distance) P-C4' energy: -52.106 flat angles C4'-P-C4' energy: -43.375 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -11.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1005.141948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.141948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.141948 (E_RNA) where: Base-Base interactions energy: -684.609 where: short stacking energy: -293.929 Base-Backbone interact. energy: -1.970 local terms energy: -318.562967 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -62.787 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -84.212 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: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1018.070305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.070305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.070305 (E_RNA) where: Base-Base interactions energy: -711.458 where: short stacking energy: -279.332 Base-Backbone interact. energy: -2.179 local terms energy: -304.433052 where: bonds (distance) C4'-P energy: -59.040 bonds (distance) P-C4' energy: -57.941 flat angles C4'-P-C4' energy: -54.908 flat angles P-C4'-P energy: -44.752 tors. eta vs tors. theta energy: -87.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -962.794404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.794404 (E_RNA) where: Base-Base interactions energy: -666.875 where: short stacking energy: -270.487 Base-Backbone interact. energy: 0.287 local terms energy: -296.206503 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -58.025 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -76.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -947.722984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.722984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.722984 (E_RNA) where: Base-Base interactions energy: -657.806 where: short stacking energy: -275.626 Base-Backbone interact. energy: 0.412 local terms energy: -290.329637 where: bonds (distance) C4'-P energy: -54.314 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -63.030 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -71.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -843.610429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.610429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.610429 (E_RNA) where: Base-Base interactions energy: -575.364 where: short stacking energy: -231.592 Base-Backbone interact. energy: -2.089 local terms energy: -266.157149 where: bonds (distance) C4'-P energy: -59.358 bonds (distance) P-C4' energy: -41.260 flat angles C4'-P-C4' energy: -63.632 flat angles P-C4'-P energy: -38.635 tors. eta vs tors. theta energy: -63.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -845.608374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.608374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.608374 (E_RNA) where: Base-Base interactions energy: -577.486 where: short stacking energy: -265.877 Base-Backbone interact. energy: -2.294 local terms energy: -265.828668 where: bonds (distance) C4'-P energy: -49.576 bonds (distance) P-C4' energy: -46.465 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -32.702 tors. eta vs tors. theta energy: -76.395 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: 202 Temperature: 1.200000 Total energy: -759.099792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.099792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.099792 (E_RNA) where: Base-Base interactions energy: -500.433 where: short stacking energy: -221.314 Base-Backbone interact. energy: -0.818 local terms energy: -257.848236 where: bonds (distance) C4'-P energy: -52.255 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -56.706 flat angles P-C4'-P energy: -44.141 tors. eta vs tors. theta energy: -55.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -569.424704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.424704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.424704 (E_RNA) where: Base-Base interactions energy: -393.112 where: short stacking energy: -173.683 Base-Backbone interact. energy: -0.800 local terms energy: -175.512859 where: bonds (distance) C4'-P energy: -46.652 bonds (distance) P-C4' energy: -59.056 flat angles C4'-P-C4' energy: -28.709 flat angles P-C4'-P energy: -19.982 tors. eta vs tors. theta energy: -21.114 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: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -579.449817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.449817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.449817 (E_RNA) where: Base-Base interactions energy: -368.295 where: short stacking energy: -171.630 Base-Backbone interact. energy: 0.491 local terms energy: -211.644842 where: bonds (distance) C4'-P energy: -46.008 bonds (distance) P-C4' energy: -50.463 flat angles C4'-P-C4' energy: -48.809 flat angles P-C4'-P energy: -33.203 tors. eta vs tors. theta energy: -33.162 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: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -477.867481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.867481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.867481 (E_RNA) where: Base-Base interactions energy: -297.087 where: short stacking energy: -139.029 Base-Backbone interact. energy: -0.741 local terms energy: -180.039572 where: bonds (distance) C4'-P energy: -46.857 bonds (distance) P-C4' energy: -50.442 flat angles C4'-P-C4' energy: -46.451 flat angles P-C4'-P energy: -27.184 tors. eta vs tors. theta energy: -9.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1011.318312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.318312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.318312 (E_RNA) where: Base-Base interactions energy: -690.806 where: short stacking energy: -303.576 Base-Backbone interact. energy: -1.841 local terms energy: -318.671513 where: bonds (distance) C4'-P energy: -55.037 bonds (distance) P-C4' energy: -65.112 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -38.364 tors. eta vs tors. theta energy: -94.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1034.621030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.621030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.621030 (E_RNA) where: Base-Base interactions energy: -745.816 where: short stacking energy: -300.583 Base-Backbone interact. energy: -0.633 local terms energy: -288.171790 where: bonds (distance) C4'-P energy: -36.572 bonds (distance) P-C4' energy: -58.801 flat angles C4'-P-C4' energy: -63.479 flat angles P-C4'-P energy: -45.961 tors. eta vs tors. theta energy: -83.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -956.756305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.756305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.756305 (E_RNA) where: Base-Base interactions energy: -674.583 where: short stacking energy: -278.798 Base-Backbone interact. energy: -0.348 local terms energy: -281.824908 where: bonds (distance) C4'-P energy: -55.303 bonds (distance) P-C4' energy: -50.222 flat angles C4'-P-C4' energy: -68.651 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: -69.781 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: 203 Temperature: 1.050000 Total energy: -944.700358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.700358 (E_RNA) where: Base-Base interactions energy: -644.326 where: short stacking energy: -263.077 Base-Backbone interact. energy: -2.483 local terms energy: -297.891952 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -60.255 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: -72.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -889.749633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.749633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.749633 (E_RNA) where: Base-Base interactions energy: -619.295 where: short stacking energy: -274.529 Base-Backbone interact. energy: 0.145 local terms energy: -270.599925 where: bonds (distance) C4'-P energy: -51.399 bonds (distance) P-C4' energy: -43.084 flat angles C4'-P-C4' energy: -64.782 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -74.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -860.381937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.381937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.381937 (E_RNA) where: Base-Base interactions energy: -588.700 where: short stacking energy: -247.682 Base-Backbone interact. energy: -3.592 local terms energy: -268.090163 where: bonds (distance) C4'-P energy: -52.932 bonds (distance) P-C4' energy: -46.315 flat angles C4'-P-C4' energy: -59.500 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -73.635 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: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -749.039174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.039174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.039174 (E_RNA) where: Base-Base interactions energy: -497.443 where: short stacking energy: -213.569 Base-Backbone interact. energy: 1.968 local terms energy: -253.563986 where: bonds (distance) C4'-P energy: -55.224 bonds (distance) P-C4' energy: -53.228 flat angles C4'-P-C4' energy: -52.034 flat angles P-C4'-P energy: -41.628 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: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -612.371280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.371280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.371280 (E_RNA) where: Base-Base interactions energy: -419.716 where: short stacking energy: -178.936 Base-Backbone interact. energy: 0.154 local terms energy: -192.809440 where: bonds (distance) C4'-P energy: -44.393 bonds (distance) P-C4' energy: -39.616 flat angles C4'-P-C4' energy: -49.631 flat angles P-C4'-P energy: -24.464 tors. eta vs tors. theta energy: -34.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -581.936334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.936334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.936334 (E_RNA) where: Base-Base interactions energy: -370.877 where: short stacking energy: -154.960 Base-Backbone interact. energy: -1.226 local terms energy: -209.832971 where: bonds (distance) C4'-P energy: -57.683 bonds (distance) P-C4' energy: -46.812 flat angles C4'-P-C4' energy: -53.406 flat angles P-C4'-P energy: -23.680 tors. eta vs tors. theta energy: -28.251 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: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -461.194114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.194114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.194114 (E_RNA) where: Base-Base interactions energy: -282.611 where: short stacking energy: -132.779 Base-Backbone interact. energy: 0.524 local terms energy: -179.107195 where: bonds (distance) C4'-P energy: -49.883 bonds (distance) P-C4' energy: -41.738 flat angles C4'-P-C4' energy: -41.962 flat angles P-C4'-P energy: -26.885 tors. eta vs tors. theta energy: -18.640 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: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1008.676618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.676618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.676618 (E_RNA) where: Base-Base interactions energy: -695.562 where: short stacking energy: -304.463 Base-Backbone interact. energy: -1.385 local terms energy: -311.729581 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -58.903 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -92.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1016.017754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.017754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.017754 (E_RNA) where: Base-Base interactions energy: -717.428 where: short stacking energy: -287.546 Base-Backbone interact. energy: -2.085 local terms energy: -296.504931 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -61.073 flat angles C4'-P-C4' energy: -60.814 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -77.695 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -959.143626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.143626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.143626 (E_RNA) where: Base-Base interactions energy: -684.056 where: short stacking energy: -296.823 Base-Backbone interact. energy: 0.477 local terms energy: -275.565133 where: bonds (distance) C4'-P energy: -42.045 bonds (distance) P-C4' energy: -49.416 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -35.697 tors. eta vs tors. theta energy: -84.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -933.178264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.178264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.178264 (E_RNA) where: Base-Base interactions energy: -658.844 where: short stacking energy: -278.404 Base-Backbone interact. energy: 0.190 local terms energy: -274.524461 where: bonds (distance) C4'-P energy: -48.913 bonds (distance) P-C4' energy: -44.569 flat angles C4'-P-C4' energy: -61.371 flat angles P-C4'-P energy: -37.386 tors. eta vs tors. theta energy: -82.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -898.242410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.242410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.242410 (E_RNA) where: Base-Base interactions energy: -618.218 where: short stacking energy: -263.750 Base-Backbone interact. energy: 1.939 local terms energy: -281.962860 where: bonds (distance) C4'-P energy: -45.634 bonds (distance) P-C4' energy: -51.695 flat angles C4'-P-C4' energy: -64.350 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -78.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -816.349722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.349722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.349722 (E_RNA) where: Base-Base interactions energy: -558.919 where: short stacking energy: -252.010 Base-Backbone interact. energy: 0.075 local terms energy: -257.505906 where: bonds (distance) C4'-P energy: -42.730 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -56.619 flat angles P-C4'-P energy: -35.076 tors. eta vs tors. theta energy: -64.574 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: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -729.002487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.002487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.002487 (E_RNA) where: Base-Base interactions energy: -480.966 where: short stacking energy: -222.591 Base-Backbone interact. energy: 2.412 local terms energy: -250.447572 where: bonds (distance) C4'-P energy: -49.028 bonds (distance) P-C4' energy: -56.178 flat angles C4'-P-C4' energy: -53.945 flat angles P-C4'-P energy: -35.023 tors. eta vs tors. theta energy: -56.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -569.145535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.145535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.145535 (E_RNA) where: Base-Base interactions energy: -336.648 where: short stacking energy: -152.246 Base-Backbone interact. energy: -2.075 local terms energy: -230.422642 where: bonds (distance) C4'-P energy: -54.895 bonds (distance) P-C4' energy: -55.852 flat angles C4'-P-C4' energy: -49.912 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -33.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -545.204056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.204056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.204056 (E_RNA) where: Base-Base interactions energy: -345.823 where: short stacking energy: -154.887 Base-Backbone interact. energy: -0.926 local terms energy: -198.455574 where: bonds (distance) C4'-P energy: -54.290 bonds (distance) P-C4' energy: -51.582 flat angles C4'-P-C4' energy: -48.116 flat angles P-C4'-P energy: -24.271 tors. eta vs tors. theta energy: -20.197 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: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -462.460483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.460483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.460483 (E_RNA) where: Base-Base interactions energy: -278.259 where: short stacking energy: -122.964 Base-Backbone interact. energy: 0.938 local terms energy: -185.140326 where: bonds (distance) C4'-P energy: -46.940 bonds (distance) P-C4' energy: -48.602 flat angles C4'-P-C4' energy: -42.353 flat angles P-C4'-P energy: -28.766 tors. eta vs tors. theta energy: -18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1005.907479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.907479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.907479 (E_RNA) where: Base-Base interactions energy: -700.726 where: short stacking energy: -298.324 Base-Backbone interact. energy: 0.446 local terms energy: -305.627967 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -55.741 flat angles C4'-P-C4' energy: -63.565 flat angles P-C4'-P energy: -40.768 tors. eta vs tors. theta energy: -87.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1001.468327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.468327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.468327 (E_RNA) where: Base-Base interactions energy: -721.184 where: short stacking energy: -280.771 Base-Backbone interact. energy: 3.203 local terms energy: -283.487450 where: bonds (distance) C4'-P energy: -45.159 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -46.872 tors. eta vs tors. theta energy: -75.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -952.966157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.966157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.966157 (E_RNA) where: Base-Base interactions energy: -660.453 where: short stacking energy: -279.942 Base-Backbone interact. energy: -2.614 local terms energy: -289.899848 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -54.955 flat angles C4'-P-C4' energy: -66.314 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -72.846 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: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -912.732373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.732373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.732373 (E_RNA) where: Base-Base interactions energy: -650.204 where: short stacking energy: -274.737 Base-Backbone interact. energy: -1.732 local terms energy: -260.796663 where: bonds (distance) C4'-P energy: -45.870 bonds (distance) P-C4' energy: -50.160 flat angles C4'-P-C4' energy: -56.637 flat angles P-C4'-P energy: -30.674 tors. eta vs tors. theta energy: -77.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -898.127285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.127285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.127285 (E_RNA) where: Base-Base interactions energy: -635.272 where: short stacking energy: -258.325 Base-Backbone interact. energy: -4.086 local terms energy: -258.769554 where: bonds (distance) C4'-P energy: -48.021 bonds (distance) P-C4' energy: -47.025 flat angles C4'-P-C4' energy: -55.651 flat angles P-C4'-P energy: -33.046 tors. eta vs tors. theta energy: -75.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -837.656633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.656633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.656633 (E_RNA) where: Base-Base interactions energy: -567.180 where: short stacking energy: -244.965 Base-Backbone interact. energy: -1.175 local terms energy: -269.301978 where: bonds (distance) C4'-P energy: -50.786 bonds (distance) P-C4' energy: -53.537 flat angles C4'-P-C4' energy: -55.774 flat angles P-C4'-P energy: -33.015 tors. eta vs tors. theta energy: -76.190 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: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -764.167635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.167635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.167635 (E_RNA) where: Base-Base interactions energy: -506.401 where: short stacking energy: -237.042 Base-Backbone interact. energy: -1.605 local terms energy: -256.161453 where: bonds (distance) C4'-P energy: -52.045 bonds (distance) P-C4' energy: -54.248 flat angles C4'-P-C4' energy: -54.917 flat angles P-C4'-P energy: -26.039 tors. eta vs tors. theta energy: -68.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -552.348821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.348821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.348821 (E_RNA) where: Base-Base interactions energy: -350.392 where: short stacking energy: -155.173 Base-Backbone interact. energy: 2.771 local terms energy: -204.727914 where: bonds (distance) C4'-P energy: -45.777 bonds (distance) P-C4' energy: -48.130 flat angles C4'-P-C4' energy: -56.090 flat angles P-C4'-P energy: -29.949 tors. eta vs tors. theta energy: -24.781 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: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -572.689723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.689723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.689723 (E_RNA) where: Base-Base interactions energy: -349.440 where: short stacking energy: -146.898 Base-Backbone interact. energy: 2.810 local terms energy: -226.060385 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -46.888 flat angles P-C4'-P energy: -39.132 tors. eta vs tors. theta energy: -29.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -482.249700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.249700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.249700 (E_RNA) where: Base-Base interactions energy: -294.945 where: short stacking energy: -151.843 Base-Backbone interact. energy: -0.383 local terms energy: -186.921482 where: bonds (distance) C4'-P energy: -41.212 bonds (distance) P-C4' energy: -50.259 flat angles C4'-P-C4' energy: -46.828 flat angles P-C4'-P energy: -16.040 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: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1028.919431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.919431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.919431 (E_RNA) where: Base-Base interactions energy: -700.804 where: short stacking energy: -306.583 Base-Backbone interact. energy: -1.632 local terms energy: -326.483655 where: bonds (distance) C4'-P energy: -62.866 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -68.933 flat angles P-C4'-P energy: -40.941 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: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1014.829285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.829285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.829285 (E_RNA) where: Base-Base interactions energy: -711.444 where: short stacking energy: -290.069 Base-Backbone interact. energy: -2.316 local terms energy: -301.069215 where: bonds (distance) C4'-P energy: -57.666 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -64.612 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -81.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -950.074580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.074580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.074580 (E_RNA) where: Base-Base interactions energy: -656.686 where: short stacking energy: -264.686 Base-Backbone interact. energy: -2.401 local terms energy: -290.988153 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -71.169 flat angles P-C4'-P energy: -32.878 tors. eta vs tors. theta energy: -71.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -912.074219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.074219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.074219 (E_RNA) where: Base-Base interactions energy: -616.803 where: short stacking energy: -279.228 Base-Backbone interact. energy: -0.763 local terms energy: -294.508591 where: bonds (distance) C4'-P energy: -64.160 bonds (distance) P-C4' energy: -53.164 flat angles C4'-P-C4' energy: -55.476 flat angles P-C4'-P energy: -39.858 tors. eta vs tors. theta energy: -81.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -917.444119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.444119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.444119 (E_RNA) where: Base-Base interactions energy: -626.858 where: short stacking energy: -262.450 Base-Backbone interact. energy: -1.457 local terms energy: -289.128569 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -45.655 flat angles C4'-P-C4' energy: -63.235 flat angles P-C4'-P energy: -47.065 tors. eta vs tors. theta energy: -77.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -805.300640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.300640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.300640 (E_RNA) where: Base-Base interactions energy: -563.545 where: short stacking energy: -235.808 Base-Backbone interact. energy: -0.453 local terms energy: -241.302582 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -46.497 flat angles C4'-P-C4' energy: -49.048 flat angles P-C4'-P energy: -27.460 tors. eta vs tors. theta energy: -65.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -788.638827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.638827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.638827 (E_RNA) where: Base-Base interactions energy: -528.961 where: short stacking energy: -239.687 Base-Backbone interact. energy: -1.050 local terms energy: -258.627076 where: bonds (distance) C4'-P energy: -47.180 bonds (distance) P-C4' energy: -57.789 flat angles C4'-P-C4' energy: -62.086 flat angles P-C4'-P energy: -30.390 tors. eta vs tors. theta energy: -61.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -572.109265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.109265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.109265 (E_RNA) where: Base-Base interactions energy: -367.418 where: short stacking energy: -165.584 Base-Backbone interact. energy: -1.639 local terms energy: -203.051766 where: bonds (distance) C4'-P energy: -49.684 bonds (distance) P-C4' energy: -46.873 flat angles C4'-P-C4' energy: -54.404 flat angles P-C4'-P energy: -26.709 tors. eta vs tors. theta energy: -25.382 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: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -563.094401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.094401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.094401 (E_RNA) where: Base-Base interactions energy: -356.210 where: short stacking energy: -169.509 Base-Backbone interact. energy: 1.242 local terms energy: -208.126382 where: bonds (distance) C4'-P energy: -47.819 bonds (distance) P-C4' energy: -43.196 flat angles C4'-P-C4' energy: -53.425 flat angles P-C4'-P energy: -31.948 tors. eta vs tors. theta energy: -31.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -455.568289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.568289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.568289 (E_RNA) where: Base-Base interactions energy: -267.874 where: short stacking energy: -135.710 Base-Backbone interact. energy: 5.679 local terms energy: -193.373274 where: bonds (distance) C4'-P energy: -45.043 bonds (distance) P-C4' energy: -52.850 flat angles C4'-P-C4' energy: -47.029 flat angles P-C4'-P energy: -22.710 tors. eta vs tors. theta energy: -25.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1025.298590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.298590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.298590 (E_RNA) where: Base-Base interactions energy: -698.068 where: short stacking energy: -318.547 Base-Backbone interact. energy: 0.299 local terms energy: -327.529372 where: bonds (distance) C4'-P energy: -59.882 bonds (distance) P-C4' energy: -59.705 flat angles C4'-P-C4' energy: -70.097 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -91.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1033.467143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.467143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.467143 (E_RNA) where: Base-Base interactions energy: -729.906 where: short stacking energy: -290.087 Base-Backbone interact. energy: -2.548 local terms energy: -301.012943 where: bonds (distance) C4'-P energy: -60.588 bonds (distance) P-C4' energy: -50.462 flat angles C4'-P-C4' energy: -69.348 flat angles P-C4'-P energy: -41.528 tors. eta vs tors. theta energy: -79.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -968.733634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.733634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.733634 (E_RNA) where: Base-Base interactions energy: -671.526 where: short stacking energy: -289.988 Base-Backbone interact. energy: 2.379 local terms energy: -299.586308 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -65.528 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: -80.247 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: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -911.805063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.805063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.805063 (E_RNA) where: Base-Base interactions energy: -634.654 where: short stacking energy: -283.319 Base-Backbone interact. energy: -0.650 local terms energy: -276.501425 where: bonds (distance) C4'-P energy: -48.838 bonds (distance) P-C4' energy: -52.550 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: -79.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -876.994216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.994216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.994216 (E_RNA) where: Base-Base interactions energy: -623.554 where: short stacking energy: -254.085 Base-Backbone interact. energy: 0.640 local terms energy: -254.079622 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -49.177 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -61.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -789.587471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.587471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.587471 (E_RNA) where: Base-Base interactions energy: -552.447 where: short stacking energy: -227.329 Base-Backbone interact. energy: 2.187 local terms energy: -239.327776 where: bonds (distance) C4'-P energy: -39.631 bonds (distance) P-C4' energy: -52.998 flat angles C4'-P-C4' energy: -57.801 flat angles P-C4'-P energy: -31.077 tors. eta vs tors. theta energy: -57.821 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: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -748.536687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.536687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.536687 (E_RNA) where: Base-Base interactions energy: -510.334 where: short stacking energy: -215.455 Base-Backbone interact. energy: -1.314 local terms energy: -236.888727 where: bonds (distance) C4'-P energy: -46.328 bonds (distance) P-C4' energy: -50.758 flat angles C4'-P-C4' energy: -46.099 flat angles P-C4'-P energy: -30.004 tors. eta vs tors. theta energy: -63.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -614.415327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.415327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.415327 (E_RNA) where: Base-Base interactions energy: -406.372 where: short stacking energy: -166.796 Base-Backbone interact. energy: 1.133 local terms energy: -209.176372 where: bonds (distance) C4'-P energy: -53.621 bonds (distance) P-C4' energy: -42.958 flat angles C4'-P-C4' energy: -48.034 flat angles P-C4'-P energy: -24.721 tors. eta vs tors. theta energy: -39.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -575.266588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.266588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.266588 (E_RNA) where: Base-Base interactions energy: -383.715 where: short stacking energy: -176.122 Base-Backbone interact. energy: 3.105 local terms energy: -194.656857 where: bonds (distance) C4'-P energy: -45.150 bonds (distance) P-C4' energy: -37.602 flat angles C4'-P-C4' energy: -50.219 flat angles P-C4'-P energy: -23.786 tors. eta vs tors. theta energy: -37.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -427.928395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.928395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.928395 (E_RNA) where: Base-Base interactions energy: -244.842 where: short stacking energy: -122.182 Base-Backbone interact. energy: -1.012 local terms energy: -182.074358 where: bonds (distance) C4'-P energy: -54.743 bonds (distance) P-C4' energy: -43.299 flat angles C4'-P-C4' energy: -48.366 flat angles P-C4'-P energy: -25.123 tors. eta vs tors. theta energy: -10.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1049.358855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.358855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.358855 (E_RNA) where: Base-Base interactions energy: -737.199 where: short stacking energy: -304.618 Base-Backbone interact. energy: 0.140 local terms energy: -312.299740 where: bonds (distance) C4'-P energy: -55.497 bonds (distance) P-C4' energy: -62.581 flat angles C4'-P-C4' energy: -64.294 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -80.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1007.970517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.970517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.970517 (E_RNA) where: Base-Base interactions energy: -696.393 where: short stacking energy: -305.816 Base-Backbone interact. energy: -0.626 local terms energy: -310.952293 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -55.950 flat angles C4'-P-C4' energy: -60.777 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: -89.319 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: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -961.664952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.664952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.664952 (E_RNA) where: Base-Base interactions energy: -659.427 where: short stacking energy: -286.394 Base-Backbone interact. energy: -1.037 local terms energy: -301.201081 where: bonds (distance) C4'-P energy: -56.788 bonds (distance) P-C4' energy: -56.872 flat angles C4'-P-C4' energy: -63.886 flat angles P-C4'-P energy: -38.390 tors. eta vs tors. theta energy: -85.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -887.349477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.349477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.349477 (E_RNA) where: Base-Base interactions energy: -616.439 where: short stacking energy: -264.356 Base-Backbone interact. energy: -1.459 local terms energy: -269.451664 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -59.741 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -68.562 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: 208 Temperature: 1.100000 Total energy: -901.106375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.106375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.106375 (E_RNA) where: Base-Base interactions energy: -630.091 where: short stacking energy: -255.505 Base-Backbone interact. energy: -0.802 local terms energy: -270.213467 where: bonds (distance) C4'-P energy: -44.401 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -55.568 flat angles P-C4'-P energy: -34.493 tors. eta vs tors. theta energy: -76.018 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: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -828.941785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.941785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.941785 (E_RNA) where: Base-Base interactions energy: -570.523 where: short stacking energy: -244.130 Base-Backbone interact. energy: -0.319 local terms energy: -258.099554 where: bonds (distance) C4'-P energy: -55.385 bonds (distance) P-C4' energy: -45.035 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -37.215 tors. eta vs tors. theta energy: -57.346 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: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -721.692152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.692152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.692152 (E_RNA) where: Base-Base interactions energy: -495.642 where: short stacking energy: -216.167 Base-Backbone interact. energy: 6.932 local terms energy: -232.982057 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -43.284 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -26.647 tors. eta vs tors. theta energy: -53.735 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: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -594.372956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.372956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.372956 (E_RNA) where: Base-Base interactions energy: -371.375 where: short stacking energy: -176.552 Base-Backbone interact. energy: 3.502 local terms energy: -226.500408 where: bonds (distance) C4'-P energy: -51.863 bonds (distance) P-C4' energy: -49.589 flat angles C4'-P-C4' energy: -52.656 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -31.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -605.095022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.095022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.095022 (E_RNA) where: Base-Base interactions energy: -398.311 where: short stacking energy: -175.853 Base-Backbone interact. energy: 0.233 local terms energy: -207.016935 where: bonds (distance) C4'-P energy: -47.695 bonds (distance) P-C4' energy: -53.375 flat angles C4'-P-C4' energy: -38.840 flat angles P-C4'-P energy: -31.182 tors. eta vs tors. theta energy: -35.925 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: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -407.455278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.455278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.455278 (E_RNA) where: Base-Base interactions energy: -239.385 where: short stacking energy: -116.964 Base-Backbone interact. energy: 1.809 local terms energy: -169.880069 where: bonds (distance) C4'-P energy: -45.970 bonds (distance) P-C4' energy: -46.044 flat angles C4'-P-C4' energy: -48.170 flat angles P-C4'-P energy: -26.572 tors. eta vs tors. theta energy: -3.124 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: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1060.153038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.153038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.153038 (E_RNA) where: Base-Base interactions energy: -742.511 where: short stacking energy: -301.523 Base-Backbone interact. energy: -1.911 local terms energy: -315.730171 where: bonds (distance) C4'-P energy: -64.321 bonds (distance) P-C4' energy: -60.026 flat angles C4'-P-C4' energy: -56.641 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -85.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -998.286732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.286732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.286732 (E_RNA) where: Base-Base interactions energy: -699.883 where: short stacking energy: -299.217 Base-Backbone interact. energy: -0.748 local terms energy: -297.656455 where: bonds (distance) C4'-P energy: -56.757 bonds (distance) P-C4' energy: -49.351 flat angles C4'-P-C4' energy: -62.792 flat angles P-C4'-P energy: -41.617 tors. eta vs tors. theta energy: -87.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -979.146000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.146000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.146000 (E_RNA) where: Base-Base interactions energy: -695.731 where: short stacking energy: -286.699 Base-Backbone interact. energy: -2.080 local terms energy: -281.335314 where: bonds (distance) C4'-P energy: -45.623 bonds (distance) P-C4' energy: -52.395 flat angles C4'-P-C4' energy: -66.419 flat angles P-C4'-P energy: -39.668 tors. eta vs tors. theta energy: -77.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -901.844653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.844653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.844653 (E_RNA) where: Base-Base interactions energy: -625.196 where: short stacking energy: -259.672 Base-Backbone interact. energy: -1.125 local terms energy: -275.523940 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -46.194 flat angles C4'-P-C4' energy: -57.588 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -68.410 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: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -883.321234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.321234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.321234 (E_RNA) where: Base-Base interactions energy: -603.140 where: short stacking energy: -274.044 Base-Backbone interact. energy: -0.875 local terms energy: -279.305668 where: bonds (distance) C4'-P energy: -47.606 bonds (distance) P-C4' energy: -52.055 flat angles C4'-P-C4' energy: -61.209 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -79.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -836.928219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.928219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.928219 (E_RNA) where: Base-Base interactions energy: -575.420 where: short stacking energy: -251.414 Base-Backbone interact. energy: -0.736 local terms energy: -260.772605 where: bonds (distance) C4'-P energy: -53.597 bonds (distance) P-C4' energy: -46.827 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -35.561 tors. eta vs tors. theta energy: -69.493 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: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -724.304536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.304536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.304536 (E_RNA) where: Base-Base interactions energy: -492.773 where: short stacking energy: -208.626 Base-Backbone interact. energy: 2.749 local terms energy: -234.280484 where: bonds (distance) C4'-P energy: -50.726 bonds (distance) P-C4' energy: -53.957 flat angles C4'-P-C4' energy: -45.885 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -44.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -584.901873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.901873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.901873 (E_RNA) where: Base-Base interactions energy: -372.655 where: short stacking energy: -161.589 Base-Backbone interact. energy: 0.315 local terms energy: -212.562441 where: bonds (distance) C4'-P energy: -41.097 bonds (distance) P-C4' energy: -50.576 flat angles C4'-P-C4' energy: -55.192 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: -33.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -549.890746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.890746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.890746 (E_RNA) where: Base-Base interactions energy: -345.413 where: short stacking energy: -154.587 Base-Backbone interact. energy: 2.619 local terms energy: -207.096870 where: bonds (distance) C4'-P energy: -40.579 bonds (distance) P-C4' energy: -53.207 flat angles C4'-P-C4' energy: -51.041 flat angles P-C4'-P energy: -31.876 tors. eta vs tors. theta energy: -30.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -437.651326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.651326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.651326 (E_RNA) where: Base-Base interactions energy: -268.536 where: short stacking energy: -134.916 Base-Backbone interact. energy: 0.111 local terms energy: -169.225889 where: bonds (distance) C4'-P energy: -37.930 bonds (distance) P-C4' energy: -47.199 flat angles C4'-P-C4' energy: -38.074 flat angles P-C4'-P energy: -27.233 tors. eta vs tors. theta energy: -18.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1050.766283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.766283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.766283 (E_RNA) where: Base-Base interactions energy: -763.151 where: short stacking energy: -301.959 Base-Backbone interact. energy: 0.073 local terms energy: -287.688631 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -55.607 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -34.990 tors. eta vs tors. theta energy: -80.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -997.502446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.502446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.502446 (E_RNA) where: Base-Base interactions energy: -692.458 where: short stacking energy: -303.585 Base-Backbone interact. energy: -0.428 local terms energy: -304.617009 where: bonds (distance) C4'-P energy: -49.552 bonds (distance) P-C4' energy: -52.824 flat angles C4'-P-C4' energy: -66.160 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -91.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -968.239008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.239008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.239008 (E_RNA) where: Base-Base interactions energy: -672.139 where: short stacking energy: -290.904 Base-Backbone interact. energy: -3.313 local terms energy: -292.787641 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -57.323 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -76.113 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: 210 Temperature: 1.050000 Total energy: -878.728820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.728820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.728820 (E_RNA) where: Base-Base interactions energy: -601.110 where: short stacking energy: -251.168 Base-Backbone interact. energy: -0.583 local terms energy: -277.035908 where: bonds (distance) C4'-P energy: -48.831 bonds (distance) P-C4' energy: -55.287 flat angles C4'-P-C4' energy: -63.301 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -70.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -858.631615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.631615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.631615 (E_RNA) where: Base-Base interactions energy: -593.824 where: short stacking energy: -269.768 Base-Backbone interact. energy: 0.331 local terms energy: -265.138686 where: bonds (distance) C4'-P energy: -47.228 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -56.274 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: -71.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -835.092074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.092074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.092074 (E_RNA) where: Base-Base interactions energy: -577.263 where: short stacking energy: -264.369 Base-Backbone interact. energy: -0.846 local terms energy: -256.983121 where: bonds (distance) C4'-P energy: -53.640 bonds (distance) P-C4' energy: -49.497 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -26.622 tors. eta vs tors. theta energy: -74.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -772.071010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.071010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.071010 (E_RNA) where: Base-Base interactions energy: -535.103 where: short stacking energy: -228.028 Base-Backbone interact. energy: -0.854 local terms energy: -236.113484 where: bonds (distance) C4'-P energy: -50.914 bonds (distance) P-C4' energy: -47.268 flat angles C4'-P-C4' energy: -51.693 flat angles P-C4'-P energy: -33.427 tors. eta vs tors. theta energy: -52.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -616.799739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.799739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.799739 (E_RNA) where: Base-Base interactions energy: -406.628 where: short stacking energy: -153.033 Base-Backbone interact. energy: -0.344 local terms energy: -209.827399 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -32.620 flat angles C4'-P-C4' energy: -47.097 flat angles P-C4'-P energy: -29.469 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: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -530.217687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.217687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.217687 (E_RNA) where: Base-Base interactions energy: -339.632 where: short stacking energy: -156.181 Base-Backbone interact. energy: 1.504 local terms energy: -192.089608 where: bonds (distance) C4'-P energy: -48.538 bonds (distance) P-C4' energy: -44.134 flat angles C4'-P-C4' energy: -44.598 flat angles P-C4'-P energy: -32.725 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: 210 Temperature: 1.350000 Total energy: -435.779910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.779910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.779910 (E_RNA) where: Base-Base interactions energy: -267.168 where: short stacking energy: -133.270 Base-Backbone interact. energy: 1.770 local terms energy: -170.382223 where: bonds (distance) C4'-P energy: -45.107 bonds (distance) P-C4' energy: -44.518 flat angles C4'-P-C4' energy: -44.504 flat angles P-C4'-P energy: -16.214 tors. eta vs tors. theta energy: -20.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1059.547794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.547794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.547794 (E_RNA) where: Base-Base interactions energy: -751.607 where: short stacking energy: -312.766 Base-Backbone interact. energy: -1.919 local terms energy: -306.022265 where: bonds (distance) C4'-P energy: -54.156 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -68.699 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -82.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -978.940959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.940959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.940959 (E_RNA) where: Base-Base interactions energy: -690.164 where: short stacking energy: -300.867 Base-Backbone interact. energy: 3.127 local terms energy: -291.904532 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -52.824 flat angles C4'-P-C4' energy: -59.719 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -82.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -959.928164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.928164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.928164 (E_RNA) where: Base-Base interactions energy: -680.185 where: short stacking energy: -272.966 Base-Backbone interact. energy: -1.746 local terms energy: -277.997580 where: bonds (distance) C4'-P energy: -55.386 bonds (distance) P-C4' energy: -51.123 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -33.348 tors. eta vs tors. theta energy: -74.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -898.340458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.340458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.340458 (E_RNA) where: Base-Base interactions energy: -613.925 where: short stacking energy: -243.465 Base-Backbone interact. energy: -2.156 local terms energy: -282.259499 where: bonds (distance) C4'-P energy: -46.315 bonds (distance) P-C4' energy: -56.774 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -68.229 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: 5, replica: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -871.121547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.121547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.121547 (E_RNA) where: Base-Base interactions energy: -606.533 where: short stacking energy: -266.870 Base-Backbone interact. energy: -0.766 local terms energy: -263.822755 where: bonds (distance) C4'-P energy: -47.960 bonds (distance) P-C4' energy: -47.473 flat angles C4'-P-C4' energy: -62.369 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -63.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -830.477377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.477377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.477377 (E_RNA) where: Base-Base interactions energy: -565.753 where: short stacking energy: -246.678 Base-Backbone interact. energy: -2.465 local terms energy: -262.259996 where: bonds (distance) C4'-P energy: -43.341 bonds (distance) P-C4' energy: -47.535 flat angles C4'-P-C4' energy: -63.457 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -67.536 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: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -772.854805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.854805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.854805 (E_RNA) where: Base-Base interactions energy: -525.789 where: short stacking energy: -232.659 Base-Backbone interact. energy: -1.136 local terms energy: -245.929357 where: bonds (distance) C4'-P energy: -47.623 bonds (distance) P-C4' energy: -51.527 flat angles C4'-P-C4' energy: -58.130 flat angles P-C4'-P energy: -35.215 tors. eta vs tors. theta energy: -53.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -614.373397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.373397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.373397 (E_RNA) where: Base-Base interactions energy: -409.118 where: short stacking energy: -200.351 Base-Backbone interact. energy: -0.982 local terms energy: -204.272711 where: bonds (distance) C4'-P energy: -48.300 bonds (distance) P-C4' energy: -40.853 flat angles C4'-P-C4' energy: -48.913 flat angles P-C4'-P energy: -22.572 tors. eta vs tors. theta energy: -43.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -530.945536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.945536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.945536 (E_RNA) where: Base-Base interactions energy: -334.631 where: short stacking energy: -146.757 Base-Backbone interact. energy: 0.156 local terms energy: -196.470894 where: bonds (distance) C4'-P energy: -42.312 bonds (distance) P-C4' energy: -55.010 flat angles C4'-P-C4' energy: -39.246 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -24.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -456.911281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.911281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.911281 (E_RNA) where: Base-Base interactions energy: -267.457 where: short stacking energy: -135.791 Base-Backbone interact. energy: 5.564 local terms energy: -195.018353 where: bonds (distance) C4'-P energy: -50.059 bonds (distance) P-C4' energy: -41.669 flat angles C4'-P-C4' energy: -50.481 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1053.818261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.818261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.818261 (E_RNA) where: Base-Base interactions energy: -741.485 where: short stacking energy: -302.978 Base-Backbone interact. energy: 0.584 local terms energy: -312.916513 where: bonds (distance) C4'-P energy: -58.573 bonds (distance) P-C4' energy: -54.920 flat angles C4'-P-C4' energy: -64.579 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -83.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -990.081964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.081964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.081964 (E_RNA) where: Base-Base interactions energy: -681.015 where: short stacking energy: -294.892 Base-Backbone interact. energy: -1.420 local terms energy: -307.646857 where: bonds (distance) C4'-P energy: -51.311 bonds (distance) P-C4' energy: -60.403 flat angles C4'-P-C4' energy: -67.150 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -86.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -960.087412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.087412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.087412 (E_RNA) where: Base-Base interactions energy: -660.504 where: short stacking energy: -287.780 Base-Backbone interact. energy: -0.863 local terms energy: -298.719936 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -63.960 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -79.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -888.696079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.696079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.696079 (E_RNA) where: Base-Base interactions energy: -600.680 where: short stacking energy: -248.088 Base-Backbone interact. energy: -1.577 local terms energy: -286.439923 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -55.083 flat angles C4'-P-C4' energy: -59.579 flat angles P-C4'-P energy: -35.073 tors. eta vs tors. theta energy: -75.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -860.691213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.691213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.691213 (E_RNA) where: Base-Base interactions energy: -603.490 where: short stacking energy: -255.659 Base-Backbone interact. energy: -1.128 local terms energy: -256.073550 where: bonds (distance) C4'-P energy: -51.170 bonds (distance) P-C4' energy: -47.039 flat angles C4'-P-C4' energy: -57.649 flat angles P-C4'-P energy: -32.975 tors. eta vs tors. theta energy: -67.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -809.425818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.425818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.425818 (E_RNA) where: Base-Base interactions energy: -542.221 where: short stacking energy: -243.313 Base-Backbone interact. energy: -0.387 local terms energy: -266.817888 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -51.074 flat angles P-C4'-P energy: -36.700 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: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -758.067403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.067403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.067403 (E_RNA) where: Base-Base interactions energy: -515.420 where: short stacking energy: -232.083 Base-Backbone interact. energy: -1.370 local terms energy: -241.277009 where: bonds (distance) C4'-P energy: -45.564 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -58.211 flat angles P-C4'-P energy: -28.077 tors. eta vs tors. theta energy: -56.293 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: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -603.208077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.208077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.208077 (E_RNA) where: Base-Base interactions energy: -392.620 where: short stacking energy: -187.069 Base-Backbone interact. energy: -1.867 local terms energy: -208.720319 where: bonds (distance) C4'-P energy: -42.597 bonds (distance) P-C4' energy: -49.103 flat angles C4'-P-C4' energy: -52.999 flat angles P-C4'-P energy: -32.380 tors. eta vs tors. theta energy: -31.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -503.248729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.248729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.248729 (E_RNA) where: Base-Base interactions energy: -324.386 where: short stacking energy: -149.728 Base-Backbone interact. energy: 1.498 local terms energy: -180.360267 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -41.414 flat angles C4'-P-C4' energy: -47.285 flat angles P-C4'-P energy: -19.131 tors. eta vs tors. theta energy: -21.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -424.791922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.791922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.791922 (E_RNA) where: Base-Base interactions energy: -247.667 where: short stacking energy: -120.416 Base-Backbone interact. energy: -2.369 local terms energy: -174.756451 where: bonds (distance) C4'-P energy: -39.632 bonds (distance) P-C4' energy: -42.007 flat angles C4'-P-C4' energy: -44.246 flat angles P-C4'-P energy: -39.039 tors. eta vs tors. theta energy: -9.832 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: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1046.312932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.312932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.312932 (E_RNA) where: Base-Base interactions energy: -729.411 where: short stacking energy: -297.505 Base-Backbone interact. energy: -2.275 local terms energy: -314.626427 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -80.923 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: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -996.157369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.157369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.157369 (E_RNA) where: Base-Base interactions energy: -689.273 where: short stacking energy: -293.019 Base-Backbone interact. energy: -1.898 local terms energy: -304.987047 where: bonds (distance) C4'-P energy: -53.459 bonds (distance) P-C4' energy: -58.684 flat angles C4'-P-C4' energy: -66.069 flat angles P-C4'-P energy: -47.438 tors. eta vs tors. theta energy: -79.337 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: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -962.581762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.581762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.581762 (E_RNA) where: Base-Base interactions energy: -664.706 where: short stacking energy: -278.097 Base-Backbone interact. energy: -1.391 local terms energy: -296.485313 where: bonds (distance) C4'-P energy: -55.890 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -56.459 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -74.986 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: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -901.548363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.548363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.548363 (E_RNA) where: Base-Base interactions energy: -620.242 where: short stacking energy: -266.520 Base-Backbone interact. energy: 1.345 local terms energy: -282.651099 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -50.218 flat angles C4'-P-C4' energy: -57.793 flat angles P-C4'-P energy: -42.051 tors. eta vs tors. theta energy: -73.954 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: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -869.188227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.188227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.188227 (E_RNA) where: Base-Base interactions energy: -589.774 where: short stacking energy: -245.050 Base-Backbone interact. energy: -1.988 local terms energy: -277.425671 where: bonds (distance) C4'-P energy: -51.466 bonds (distance) P-C4' energy: -46.313 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -69.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -791.379332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.379332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.379332 (E_RNA) where: Base-Base interactions energy: -523.689 where: short stacking energy: -237.561 Base-Backbone interact. energy: -0.146 local terms energy: -267.544053 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -43.576 flat angles C4'-P-C4' energy: -56.954 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -64.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -760.221663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.221663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.221663 (E_RNA) where: Base-Base interactions energy: -512.647 where: short stacking energy: -219.679 Base-Backbone interact. energy: -0.971 local terms energy: -246.603745 where: bonds (distance) C4'-P energy: -44.920 bonds (distance) P-C4' energy: -51.463 flat angles C4'-P-C4' energy: -61.346 flat angles P-C4'-P energy: -35.076 tors. eta vs tors. theta energy: -53.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -623.771660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.771660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.771660 (E_RNA) where: Base-Base interactions energy: -408.373 where: short stacking energy: -199.132 Base-Backbone interact. energy: -0.751 local terms energy: -214.647553 where: bonds (distance) C4'-P energy: -49.670 bonds (distance) P-C4' energy: -32.884 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -29.373 tors. eta vs tors. theta energy: -47.413 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: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -550.742681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.742681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.742681 (E_RNA) where: Base-Base interactions energy: -354.881 where: short stacking energy: -165.779 Base-Backbone interact. energy: -0.225 local terms energy: -195.636533 where: bonds (distance) C4'-P energy: -44.112 bonds (distance) P-C4' energy: -47.252 flat angles C4'-P-C4' energy: -50.456 flat angles P-C4'-P energy: -29.209 tors. eta vs tors. theta energy: -24.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -460.195255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.195255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.195255 (E_RNA) where: Base-Base interactions energy: -280.736 where: short stacking energy: -122.603 Base-Backbone interact. energy: -1.003 local terms energy: -178.456070 where: bonds (distance) C4'-P energy: -49.753 bonds (distance) P-C4' energy: -51.888 flat angles C4'-P-C4' energy: -37.477 flat angles P-C4'-P energy: -25.726 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1048.178419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.178419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.178419 (E_RNA) where: Base-Base interactions energy: -738.124 where: short stacking energy: -308.358 Base-Backbone interact. energy: -1.195 local terms energy: -308.859085 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: -86.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -996.519812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.519812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.519812 (E_RNA) where: Base-Base interactions energy: -702.271 where: short stacking energy: -304.618 Base-Backbone interact. energy: -1.323 local terms energy: -292.925415 where: bonds (distance) C4'-P energy: -50.913 bonds (distance) P-C4' energy: -52.955 flat angles C4'-P-C4' energy: -57.833 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -83.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -948.278282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.278282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.278282 (E_RNA) where: Base-Base interactions energy: -654.205 where: short stacking energy: -277.004 Base-Backbone interact. energy: -1.373 local terms energy: -292.699711 where: bonds (distance) C4'-P energy: -52.827 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -41.653 tors. eta vs tors. theta energy: -76.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -906.042394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.042394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.042394 (E_RNA) where: Base-Base interactions energy: -624.705 where: short stacking energy: -254.977 Base-Backbone interact. energy: 0.096 local terms energy: -281.433119 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -54.420 flat angles C4'-P-C4' energy: -64.760 flat angles P-C4'-P energy: -31.700 tors. eta vs tors. theta energy: -71.236 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: 5, replica: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -888.308452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.308452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.308452 (E_RNA) where: Base-Base interactions energy: -601.024 where: short stacking energy: -252.400 Base-Backbone interact. energy: 1.571 local terms energy: -288.855137 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -55.130 flat angles C4'-P-C4' energy: -59.764 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -76.603 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: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -764.203346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.203346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.203346 (E_RNA) where: Base-Base interactions energy: -515.494 where: short stacking energy: -224.492 Base-Backbone interact. energy: -0.903 local terms energy: -247.806811 where: bonds (distance) C4'-P energy: -43.309 bonds (distance) P-C4' energy: -52.737 flat angles C4'-P-C4' energy: -53.596 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: -61.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -799.822516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.822516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.822516 (E_RNA) where: Base-Base interactions energy: -543.610 where: short stacking energy: -246.801 Base-Backbone interact. energy: -0.560 local terms energy: -255.652042 where: bonds (distance) C4'-P energy: -45.384 bonds (distance) P-C4' energy: -51.065 flat angles C4'-P-C4' energy: -58.442 flat angles P-C4'-P energy: -30.030 tors. eta vs tors. theta energy: -70.731 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: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -671.749157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.749157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.749157 (E_RNA) where: Base-Base interactions energy: -447.190 where: short stacking energy: -196.986 Base-Backbone interact. energy: 0.762 local terms energy: -225.320901 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -53.870 flat angles C4'-P-C4' energy: -51.994 flat angles P-C4'-P energy: -27.488 tors. eta vs tors. theta energy: -40.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -500.191069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.191069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.191069 (E_RNA) where: Base-Base interactions energy: -308.887 where: short stacking energy: -149.469 Base-Backbone interact. energy: 0.103 local terms energy: -191.406845 where: bonds (distance) C4'-P energy: -49.370 bonds (distance) P-C4' energy: -48.828 flat angles C4'-P-C4' energy: -45.020 flat angles P-C4'-P energy: -26.154 tors. eta vs tors. theta energy: -22.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -545.170340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.170340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.170340 (E_RNA) where: Base-Base interactions energy: -353.537 where: short stacking energy: -157.907 Base-Backbone interact. energy: 1.613 local terms energy: -193.245713 where: bonds (distance) C4'-P energy: -48.296 bonds (distance) P-C4' energy: -39.931 flat angles C4'-P-C4' energy: -51.528 flat angles P-C4'-P energy: -26.168 tors. eta vs tors. theta energy: -27.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1050.274141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.274141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.274141 (E_RNA) where: Base-Base interactions energy: -744.988 where: short stacking energy: -295.370 Base-Backbone interact. energy: -1.153 local terms energy: -304.132359 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -51.799 flat angles C4'-P-C4' energy: -60.435 flat angles P-C4'-P energy: -43.111 tors. eta vs tors. theta energy: -88.983 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: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1006.865359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.865359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.865359 (E_RNA) where: Base-Base interactions energy: -691.347 where: short stacking energy: -295.916 Base-Backbone interact. energy: -1.232 local terms energy: -314.286888 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -60.600 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -88.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -951.964990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.964990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.964990 (E_RNA) where: Base-Base interactions energy: -655.891 where: short stacking energy: -274.410 Base-Backbone interact. energy: -2.314 local terms energy: -293.760144 where: bonds (distance) C4'-P energy: -49.943 bonds (distance) P-C4' energy: -61.474 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -80.283 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: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -928.726040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.726040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.726040 (E_RNA) where: Base-Base interactions energy: -651.390 where: short stacking energy: -265.488 Base-Backbone interact. energy: -0.426 local terms energy: -276.910356 where: bonds (distance) C4'-P energy: -43.619 bonds (distance) P-C4' energy: -51.226 flat angles C4'-P-C4' energy: -63.846 flat angles P-C4'-P energy: -40.436 tors. eta vs tors. theta energy: -77.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -874.210260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.210260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.210260 (E_RNA) where: Base-Base interactions energy: -617.171 where: short stacking energy: -257.364 Base-Backbone interact. energy: -1.978 local terms energy: -255.061244 where: bonds (distance) C4'-P energy: -50.814 bonds (distance) P-C4' energy: -46.446 flat angles C4'-P-C4' energy: -59.444 flat angles P-C4'-P energy: -27.831 tors. eta vs tors. theta energy: -70.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -820.924095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.924095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.924095 (E_RNA) where: Base-Base interactions energy: -555.258 where: short stacking energy: -243.057 Base-Backbone interact. energy: -0.782 local terms energy: -264.883701 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -51.628 flat angles C4'-P-C4' energy: -58.014 flat angles P-C4'-P energy: -33.584 tors. eta vs tors. theta energy: -62.924 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: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -708.673870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.673870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.673870 (E_RNA) where: Base-Base interactions energy: -488.407 where: short stacking energy: -203.127 Base-Backbone interact. energy: -0.780 local terms energy: -219.487179 where: bonds (distance) C4'-P energy: -40.071 bonds (distance) P-C4' energy: -41.552 flat angles C4'-P-C4' energy: -52.235 flat angles P-C4'-P energy: -33.514 tors. eta vs tors. theta energy: -52.115 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: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -673.801157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.801157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.801157 (E_RNA) where: Base-Base interactions energy: -445.690 where: short stacking energy: -205.296 Base-Backbone interact. energy: -2.701 local terms energy: -225.410482 where: bonds (distance) C4'-P energy: -41.605 bonds (distance) P-C4' energy: -43.357 flat angles C4'-P-C4' energy: -52.578 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -47.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -485.995504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.995504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.995504 (E_RNA) where: Base-Base interactions energy: -293.668 where: short stacking energy: -138.752 Base-Backbone interact. energy: 3.075 local terms energy: -195.402978 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -47.695 flat angles C4'-P-C4' energy: -43.684 flat angles P-C4'-P energy: -34.710 tors. eta vs tors. theta energy: -16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -536.018557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.018557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.018557 (E_RNA) where: Base-Base interactions energy: -353.884 where: short stacking energy: -150.291 Base-Backbone interact. energy: -1.302 local terms energy: -180.831948 where: bonds (distance) C4'-P energy: -43.216 bonds (distance) P-C4' energy: -40.742 flat angles C4'-P-C4' energy: -41.900 flat angles P-C4'-P energy: -29.757 tors. eta vs tors. theta energy: -25.217 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: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1051.923879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.923879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.923879 (E_RNA) where: Base-Base interactions energy: -750.001 where: short stacking energy: -302.690 Base-Backbone interact. energy: -0.349 local terms energy: -301.574087 where: bonds (distance) C4'-P energy: -53.745 bonds (distance) P-C4' energy: -55.952 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -85.174 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: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -989.267206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.267206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.267206 (E_RNA) where: Base-Base interactions energy: -685.369 where: short stacking energy: -295.661 Base-Backbone interact. energy: -0.713 local terms energy: -303.184708 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -61.390 flat angles P-C4'-P energy: -36.217 tors. eta vs tors. theta energy: -89.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -950.410204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.410204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.410204 (E_RNA) where: Base-Base interactions energy: -657.071 where: short stacking energy: -264.170 Base-Backbone interact. energy: -2.422 local terms energy: -290.917923 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -56.197 flat angles C4'-P-C4' energy: -62.443 flat angles P-C4'-P energy: -42.190 tors. eta vs tors. theta energy: -72.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -927.415706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.415706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.415706 (E_RNA) where: Base-Base interactions energy: -641.081 where: short stacking energy: -269.577 Base-Backbone interact. energy: -1.837 local terms energy: -284.497592 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -55.023 flat angles C4'-P-C4' energy: -59.880 flat angles P-C4'-P energy: -26.809 tors. eta vs tors. theta energy: -84.390 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: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -878.958462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.958462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.958462 (E_RNA) where: Base-Base interactions energy: -612.914 where: short stacking energy: -255.936 Base-Backbone interact. energy: -1.641 local terms energy: -264.402848 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -44.524 flat angles C4'-P-C4' energy: -59.813 flat angles P-C4'-P energy: -37.763 tors. eta vs tors. theta energy: -70.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -807.446567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.446567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.446567 (E_RNA) where: Base-Base interactions energy: -556.342 where: short stacking energy: -228.656 Base-Backbone interact. energy: -0.641 local terms energy: -250.464207 where: bonds (distance) C4'-P energy: -30.871 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -58.782 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -61.404 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: 216 Temperature: 1.200000 Total energy: -759.573885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.573885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.573885 (E_RNA) where: Base-Base interactions energy: -521.933 where: short stacking energy: -220.481 Base-Backbone interact. energy: -0.464 local terms energy: -237.176766 where: bonds (distance) C4'-P energy: -34.095 bonds (distance) P-C4' energy: -52.968 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -29.583 tors. eta vs tors. theta energy: -62.225 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: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -684.348641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.348641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.348641 (E_RNA) where: Base-Base interactions energy: -452.454 where: short stacking energy: -197.437 Base-Backbone interact. energy: -0.835 local terms energy: -231.059833 where: bonds (distance) C4'-P energy: -48.146 bonds (distance) P-C4' energy: -52.639 flat angles C4'-P-C4' energy: -55.870 flat angles P-C4'-P energy: -28.433 tors. eta vs tors. theta energy: -45.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -493.471552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.471552 (E_RNA) where: Base-Base interactions energy: -303.617 where: short stacking energy: -148.605 Base-Backbone interact. energy: -2.187 local terms energy: -187.667151 where: bonds (distance) C4'-P energy: -37.478 bonds (distance) P-C4' energy: -53.356 flat angles C4'-P-C4' energy: -44.464 flat angles P-C4'-P energy: -22.691 tors. eta vs tors. theta energy: -29.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -446.547059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.547059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.547059 (E_RNA) where: Base-Base interactions energy: -263.171 where: short stacking energy: -117.505 Base-Backbone interact. energy: 0.834 local terms energy: -184.210169 where: bonds (distance) C4'-P energy: -42.311 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1051.382104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.382104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.382104 (E_RNA) where: Base-Base interactions energy: -738.942 where: short stacking energy: -301.314 Base-Backbone interact. energy: -1.704 local terms energy: -310.735988 where: bonds (distance) C4'-P energy: -61.991 bonds (distance) P-C4' energy: -51.640 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -44.825 tors. eta vs tors. theta energy: -84.732 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: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1013.790980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.790980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.790980 (E_RNA) where: Base-Base interactions energy: -689.768 where: short stacking energy: -311.282 Base-Backbone interact. energy: -1.563 local terms energy: -322.460081 where: bonds (distance) C4'-P energy: -54.170 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -67.473 flat angles P-C4'-P energy: -48.779 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: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -940.423126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.423126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.423126 (E_RNA) where: Base-Base interactions energy: -664.486 where: short stacking energy: -287.154 Base-Backbone interact. energy: -0.905 local terms energy: -275.032067 where: bonds (distance) C4'-P energy: -54.065 bonds (distance) P-C4' energy: -51.436 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -74.003 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -945.810994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.810994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.810994 (E_RNA) where: Base-Base interactions energy: -648.124 where: short stacking energy: -268.966 Base-Backbone interact. energy: -1.408 local terms energy: -296.279216 where: bonds (distance) C4'-P energy: -67.324 bonds (distance) P-C4' energy: -53.667 flat angles C4'-P-C4' energy: -56.381 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: -76.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -867.079138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.079138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.079138 (E_RNA) where: Base-Base interactions energy: -583.128 where: short stacking energy: -240.929 Base-Backbone interact. energy: -1.391 local terms energy: -282.560347 where: bonds (distance) C4'-P energy: -60.439 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -60.931 flat angles P-C4'-P energy: -44.323 tors. eta vs tors. theta energy: -61.854 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: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -786.356930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.356930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.356930 (E_RNA) where: Base-Base interactions energy: -538.913 where: short stacking energy: -237.608 Base-Backbone interact. energy: 0.773 local terms energy: -248.216364 where: bonds (distance) C4'-P energy: -42.829 bonds (distance) P-C4' energy: -50.783 flat angles C4'-P-C4' energy: -54.136 flat angles P-C4'-P energy: -35.278 tors. eta vs tors. theta energy: -65.190 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: 217 Temperature: 1.200000 Total energy: -763.746168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.746168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.746168 (E_RNA) where: Base-Base interactions energy: -523.807 where: short stacking energy: -227.430 Base-Backbone interact. energy: -1.081 local terms energy: -238.858640 where: bonds (distance) C4'-P energy: -45.275 bonds (distance) P-C4' energy: -54.659 flat angles C4'-P-C4' energy: -54.278 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: -54.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -667.705736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.705736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.705736 (E_RNA) where: Base-Base interactions energy: -450.933 where: short stacking energy: -204.218 Base-Backbone interact. energy: 4.408 local terms energy: -221.180732 where: bonds (distance) C4'-P energy: -57.865 bonds (distance) P-C4' energy: -50.038 flat angles C4'-P-C4' energy: -49.452 flat angles P-C4'-P energy: -23.546 tors. eta vs tors. theta energy: -40.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -540.462647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.462647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.462647 (E_RNA) where: Base-Base interactions energy: -336.598 where: short stacking energy: -151.429 Base-Backbone interact. energy: -2.676 local terms energy: -201.188314 where: bonds (distance) C4'-P energy: -42.728 bonds (distance) P-C4' energy: -50.214 flat angles C4'-P-C4' energy: -50.162 flat angles P-C4'-P energy: -27.007 tors. eta vs tors. theta energy: -31.077 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: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -419.947200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.947200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.947200 (E_RNA) where: Base-Base interactions energy: -252.279 where: short stacking energy: -115.933 Base-Backbone interact. energy: -0.842 local terms energy: -166.826529 where: bonds (distance) C4'-P energy: -36.401 bonds (distance) P-C4' energy: -37.543 flat angles C4'-P-C4' energy: -46.606 flat angles P-C4'-P energy: -25.460 tors. eta vs tors. theta energy: -20.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1034.908125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.908125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.908125 (E_RNA) where: Base-Base interactions energy: -729.014 where: short stacking energy: -290.408 Base-Backbone interact. energy: -2.128 local terms energy: -303.766060 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -53.050 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -80.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1023.478260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.478260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.478260 (E_RNA) where: Base-Base interactions energy: -701.058 where: short stacking energy: -299.899 Base-Backbone interact. energy: -0.514 local terms energy: -321.906399 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -63.879 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -88.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -976.501996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.501996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.501996 (E_RNA) where: Base-Base interactions energy: -671.402 where: short stacking energy: -279.636 Base-Backbone interact. energy: -1.720 local terms energy: -303.380186 where: bonds (distance) C4'-P energy: -55.505 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -68.786 flat angles P-C4'-P energy: -39.349 tors. eta vs tors. theta energy: -80.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -932.095722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.095722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.095722 (E_RNA) where: Base-Base interactions energy: -649.980 where: short stacking energy: -272.256 Base-Backbone interact. energy: -0.549 local terms energy: -281.567348 where: bonds (distance) C4'-P energy: -43.913 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -66.560 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -70.672 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: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -882.639767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.639767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.639767 (E_RNA) where: Base-Base interactions energy: -622.710 where: short stacking energy: -254.489 Base-Backbone interact. energy: -1.824 local terms energy: -258.106375 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -42.645 flat angles C4'-P-C4' energy: -60.878 flat angles P-C4'-P energy: -38.235 tors. eta vs tors. theta energy: -65.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -849.224755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.224755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.224755 (E_RNA) where: Base-Base interactions energy: -581.536 where: short stacking energy: -254.198 Base-Backbone interact. energy: 0.633 local terms energy: -268.321417 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -51.064 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -30.854 tors. eta vs tors. theta energy: -69.859 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -758.773549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.773549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.773549 (E_RNA) where: Base-Base interactions energy: -505.044 where: short stacking energy: -217.649 Base-Backbone interact. energy: -0.570 local terms energy: -253.159435 where: bonds (distance) C4'-P energy: -50.289 bonds (distance) P-C4' energy: -52.169 flat angles C4'-P-C4' energy: -51.119 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -59.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -682.674768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.674768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.674768 (E_RNA) where: Base-Base interactions energy: -464.532 where: short stacking energy: -206.525 Base-Backbone interact. energy: 0.063 local terms energy: -218.205964 where: bonds (distance) C4'-P energy: -48.854 bonds (distance) P-C4' energy: -43.427 flat angles C4'-P-C4' energy: -59.042 flat angles P-C4'-P energy: -27.606 tors. eta vs tors. theta energy: -39.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -543.150111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.150111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.150111 (E_RNA) where: Base-Base interactions energy: -345.456 where: short stacking energy: -172.037 Base-Backbone interact. energy: 3.352 local terms energy: -201.045204 where: bonds (distance) C4'-P energy: -41.286 bonds (distance) P-C4' energy: -41.279 flat angles C4'-P-C4' energy: -62.938 flat angles P-C4'-P energy: -27.869 tors. eta vs tors. theta energy: -27.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -421.453720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.453720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.453720 (E_RNA) where: Base-Base interactions energy: -258.687 where: short stacking energy: -135.114 Base-Backbone interact. energy: -1.420 local terms energy: -161.346571 where: bonds (distance) C4'-P energy: -34.601 bonds (distance) P-C4' energy: -34.656 flat angles C4'-P-C4' energy: -52.275 flat angles P-C4'-P energy: -24.628 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1061.968683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.968683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.968683 (E_RNA) where: Base-Base interactions energy: -737.929 where: short stacking energy: -296.155 Base-Backbone interact. energy: -2.282 local terms energy: -321.757660 where: bonds (distance) C4'-P energy: -61.969 bonds (distance) P-C4' energy: -59.977 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -86.290 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: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1000.098220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.098220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.098220 (E_RNA) where: Base-Base interactions energy: -693.772 where: short stacking energy: -301.066 Base-Backbone interact. energy: 1.162 local terms energy: -307.487552 where: bonds (distance) C4'-P energy: -54.627 bonds (distance) P-C4' energy: -58.296 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -46.766 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -966.700875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.700875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.700875 (E_RNA) where: Base-Base interactions energy: -669.202 where: short stacking energy: -269.496 Base-Backbone interact. energy: -0.246 local terms energy: -297.253393 where: bonds (distance) C4'-P energy: -58.298 bonds (distance) P-C4' energy: -62.666 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -69.412 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: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -924.841940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.841940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.841940 (E_RNA) where: Base-Base interactions energy: -651.691 where: short stacking energy: -268.238 Base-Backbone interact. energy: -1.071 local terms energy: -272.080036 where: bonds (distance) C4'-P energy: -60.750 bonds (distance) P-C4' energy: -37.541 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -69.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -888.611305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.611305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.611305 (E_RNA) where: Base-Base interactions energy: -615.944 where: short stacking energy: -249.132 Base-Backbone interact. energy: -0.968 local terms energy: -271.699542 where: bonds (distance) C4'-P energy: -54.111 bonds (distance) P-C4' energy: -48.800 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -66.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -821.322963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.322963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.322963 (E_RNA) where: Base-Base interactions energy: -569.433 where: short stacking energy: -244.951 Base-Backbone interact. energy: -0.685 local terms energy: -251.205111 where: bonds (distance) C4'-P energy: -36.945 bonds (distance) P-C4' energy: -51.100 flat angles C4'-P-C4' energy: -52.803 flat angles P-C4'-P energy: -48.724 tors. eta vs tors. theta energy: -61.634 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: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -763.595254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.595254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.595254 (E_RNA) where: Base-Base interactions energy: -507.658 where: short stacking energy: -215.612 Base-Backbone interact. energy: 0.315 local terms energy: -256.252485 where: bonds (distance) C4'-P energy: -61.921 bonds (distance) P-C4' energy: -53.221 flat angles C4'-P-C4' energy: -50.047 flat angles P-C4'-P energy: -26.781 tors. eta vs tors. theta energy: -64.282 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: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -711.997925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.997925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.997925 (E_RNA) where: Base-Base interactions energy: -505.091 where: short stacking energy: -204.907 Base-Backbone interact. energy: 0.510 local terms energy: -207.416948 where: bonds (distance) C4'-P energy: -37.393 bonds (distance) P-C4' energy: -45.355 flat angles C4'-P-C4' energy: -48.509 flat angles P-C4'-P energy: -27.848 tors. eta vs tors. theta energy: -48.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -498.775887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.775887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.775887 (E_RNA) where: Base-Base interactions energy: -318.441 where: short stacking energy: -140.521 Base-Backbone interact. energy: -1.219 local terms energy: -179.116301 where: bonds (distance) C4'-P energy: -37.582 bonds (distance) P-C4' energy: -41.364 flat angles C4'-P-C4' energy: -53.420 flat angles P-C4'-P energy: -24.113 tors. eta vs tors. theta energy: -22.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -435.803830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.803830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.803830 (E_RNA) where: Base-Base interactions energy: -259.076 where: short stacking energy: -124.273 Base-Backbone interact. energy: 1.053 local terms energy: -177.780662 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -44.611 flat angles P-C4'-P energy: -17.386 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1044.595971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.595971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.595971 (E_RNA) where: Base-Base interactions energy: -748.081 where: short stacking energy: -299.272 Base-Backbone interact. energy: -2.324 local terms energy: -294.190289 where: bonds (distance) C4'-P energy: -51.752 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -83.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -996.081606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.081606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.081606 (E_RNA) where: Base-Base interactions energy: -682.325 where: short stacking energy: -291.295 Base-Backbone interact. energy: -0.249 local terms energy: -313.507386 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -59.892 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -47.422 tors. eta vs tors. theta energy: -85.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -970.361366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.361366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.361366 (E_RNA) where: Base-Base interactions energy: -674.274 where: short stacking energy: -274.532 Base-Backbone interact. energy: -2.008 local terms energy: -294.079611 where: bonds (distance) C4'-P energy: -59.793 bonds (distance) P-C4' energy: -57.542 flat angles C4'-P-C4' energy: -60.918 flat angles P-C4'-P energy: -31.130 tors. eta vs tors. theta energy: -84.697 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: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -917.834856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.834856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.834856 (E_RNA) where: Base-Base interactions energy: -634.737 where: short stacking energy: -276.074 Base-Backbone interact. energy: 2.089 local terms energy: -285.186990 where: bonds (distance) C4'-P energy: -47.348 bonds (distance) P-C4' energy: -60.483 flat angles C4'-P-C4' energy: -56.740 flat angles P-C4'-P energy: -43.310 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: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -861.375566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.375566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.375566 (E_RNA) where: Base-Base interactions energy: -617.039 where: short stacking energy: -258.446 Base-Backbone interact. energy: -1.131 local terms energy: -243.205831 where: bonds (distance) C4'-P energy: -40.402 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -52.891 flat angles P-C4'-P energy: -28.647 tors. eta vs tors. theta energy: -65.799 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: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -810.238810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.238810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.238810 (E_RNA) where: Base-Base interactions energy: -556.533 where: short stacking energy: -249.977 Base-Backbone interact. energy: -0.192 local terms energy: -253.514325 where: bonds (distance) C4'-P energy: -39.114 bonds (distance) P-C4' energy: -56.982 flat angles C4'-P-C4' energy: -58.680 flat angles P-C4'-P energy: -29.044 tors. eta vs tors. theta energy: -69.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -763.238824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.238824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.238824 (E_RNA) where: Base-Base interactions energy: -529.477 where: short stacking energy: -245.449 Base-Backbone interact. energy: 0.807 local terms energy: -234.568425 where: bonds (distance) C4'-P energy: -53.066 bonds (distance) P-C4' energy: -35.729 flat angles C4'-P-C4' energy: -52.476 flat angles P-C4'-P energy: -30.562 tors. eta vs tors. theta energy: -62.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -705.020590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.020590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.020590 (E_RNA) where: Base-Base interactions energy: -479.108 where: short stacking energy: -187.474 Base-Backbone interact. energy: -1.759 local terms energy: -224.153148 where: bonds (distance) C4'-P energy: -44.300 bonds (distance) P-C4' energy: -52.229 flat angles C4'-P-C4' energy: -50.252 flat angles P-C4'-P energy: -34.051 tors. eta vs tors. theta energy: -43.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -515.163519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.163519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.163519 (E_RNA) where: Base-Base interactions energy: -304.668 where: short stacking energy: -143.931 Base-Backbone interact. energy: -2.743 local terms energy: -207.752957 where: bonds (distance) C4'-P energy: -43.935 bonds (distance) P-C4' energy: -41.967 flat angles C4'-P-C4' energy: -53.632 flat angles P-C4'-P energy: -34.751 tors. eta vs tors. theta energy: -33.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -432.508020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.508020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.508020 (E_RNA) where: Base-Base interactions energy: -282.949 where: short stacking energy: -144.154 Base-Backbone interact. energy: 8.467 local terms energy: -158.025313 where: bonds (distance) C4'-P energy: -41.720 bonds (distance) P-C4' energy: -31.698 flat angles C4'-P-C4' energy: -46.847 flat angles P-C4'-P energy: -22.500 tors. eta vs tors. theta energy: -15.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1067.804374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.804374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.804374 (E_RNA) where: Base-Base interactions energy: -775.667 where: short stacking energy: -309.674 Base-Backbone interact. energy: -0.151 local terms energy: -291.986852 where: bonds (distance) C4'-P energy: -50.832 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: -82.571 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: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1017.455107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.455107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.455107 (E_RNA) where: Base-Base interactions energy: -703.426 where: short stacking energy: -298.960 Base-Backbone interact. energy: 0.137 local terms energy: -314.165619 where: bonds (distance) C4'-P energy: -67.872 bonds (distance) P-C4' energy: -58.271 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -43.068 tors. eta vs tors. theta energy: -78.644 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -962.180547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.180547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.180547 (E_RNA) where: Base-Base interactions energy: -658.299 where: short stacking energy: -270.501 Base-Backbone interact. energy: -2.118 local terms energy: -301.763049 where: bonds (distance) C4'-P energy: -51.240 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -76.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -945.804056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.804056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.804056 (E_RNA) where: Base-Base interactions energy: -666.734 where: short stacking energy: -286.190 Base-Backbone interact. energy: -1.865 local terms energy: -277.204792 where: bonds (distance) C4'-P energy: -50.727 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -64.309 flat angles P-C4'-P energy: -27.478 tors. eta vs tors. theta energy: -79.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -881.508565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.508565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.508565 (E_RNA) where: Base-Base interactions energy: -614.540 where: short stacking energy: -261.617 Base-Backbone interact. energy: -0.453 local terms energy: -266.515627 where: bonds (distance) C4'-P energy: -39.916 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -37.114 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: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -814.692864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.692864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.692864 (E_RNA) where: Base-Base interactions energy: -558.535 where: short stacking energy: -245.413 Base-Backbone interact. energy: -1.091 local terms energy: -255.067362 where: bonds (distance) C4'-P energy: -46.862 bonds (distance) P-C4' energy: -43.537 flat angles C4'-P-C4' energy: -54.878 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -67.166 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: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -761.221298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.221298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.221298 (E_RNA) where: Base-Base interactions energy: -510.196 where: short stacking energy: -239.705 Base-Backbone interact. energy: -2.316 local terms energy: -248.708494 where: bonds (distance) C4'-P energy: -45.552 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -49.108 flat angles P-C4'-P energy: -33.669 tors. eta vs tors. theta energy: -61.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -729.257259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.257259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.257259 (E_RNA) where: Base-Base interactions energy: -487.300 where: short stacking energy: -218.123 Base-Backbone interact. energy: -0.982 local terms energy: -240.975188 where: bonds (distance) C4'-P energy: -41.219 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -53.891 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -52.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -503.483614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.483614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.483614 (E_RNA) where: Base-Base interactions energy: -299.881 where: short stacking energy: -142.683 Base-Backbone interact. energy: -0.319 local terms energy: -203.283703 where: bonds (distance) C4'-P energy: -48.091 bonds (distance) P-C4' energy: -53.398 flat angles C4'-P-C4' energy: -49.138 flat angles P-C4'-P energy: -29.371 tors. eta vs tors. theta energy: -23.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -485.632043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.632043 (E_RNA) where: Base-Base interactions energy: -288.854 where: short stacking energy: -131.561 Base-Backbone interact. energy: 0.471 local terms energy: -197.249564 where: bonds (distance) C4'-P energy: -48.813 bonds (distance) P-C4' energy: -59.915 flat angles C4'-P-C4' energy: -44.606 flat angles P-C4'-P energy: -17.435 tors. eta vs tors. theta energy: -26.480 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: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1037.892584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.892584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.892584 (E_RNA) where: Base-Base interactions energy: -729.657 where: short stacking energy: -305.908 Base-Backbone interact. energy: -1.039 local terms energy: -307.196985 where: bonds (distance) C4'-P energy: -57.765 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -65.145 flat angles P-C4'-P energy: -45.620 tors. eta vs tors. theta energy: -77.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1048.984694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.984694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.984694 (E_RNA) where: Base-Base interactions energy: -746.046 where: short stacking energy: -291.275 Base-Backbone interact. energy: 2.255 local terms energy: -305.193651 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -59.281 flat angles P-C4'-P energy: -38.415 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: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -951.421420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.421420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.421420 (E_RNA) where: Base-Base interactions energy: -658.908 where: short stacking energy: -266.489 Base-Backbone interact. energy: -0.497 local terms energy: -292.016250 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -55.091 flat angles C4'-P-C4' energy: -65.296 flat angles P-C4'-P energy: -40.611 tors. eta vs tors. theta energy: -75.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -971.648772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.648772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.648772 (E_RNA) where: Base-Base interactions energy: -680.500 where: short stacking energy: -271.066 Base-Backbone interact. energy: -2.658 local terms energy: -288.490258 where: bonds (distance) C4'-P energy: -56.363 bonds (distance) P-C4' energy: -56.670 flat angles C4'-P-C4' energy: -61.311 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -73.371 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: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -858.691262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.691262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.691262 (E_RNA) where: Base-Base interactions energy: -601.300 where: short stacking energy: -250.654 Base-Backbone interact. energy: 0.241 local terms energy: -257.632326 where: bonds (distance) C4'-P energy: -45.229 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -59.379 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -63.137 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: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -827.082556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.082556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.082556 (E_RNA) where: Base-Base interactions energy: -565.948 where: short stacking energy: -233.875 Base-Backbone interact. energy: -0.264 local terms energy: -260.871328 where: bonds (distance) C4'-P energy: -45.568 bonds (distance) P-C4' energy: -55.445 flat angles C4'-P-C4' energy: -58.115 flat angles P-C4'-P energy: -35.860 tors. eta vs tors. theta energy: -65.883 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: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -729.670487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.670487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.670487 (E_RNA) where: Base-Base interactions energy: -496.002 where: short stacking energy: -202.067 Base-Backbone interact. energy: -1.539 local terms energy: -232.128665 where: bonds (distance) C4'-P energy: -43.010 bonds (distance) P-C4' energy: -48.286 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -30.256 tors. eta vs tors. theta energy: -53.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -719.601282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.601282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.601282 (E_RNA) where: Base-Base interactions energy: -484.059 where: short stacking energy: -209.079 Base-Backbone interact. energy: -1.434 local terms energy: -234.108077 where: bonds (distance) C4'-P energy: -48.388 bonds (distance) P-C4' energy: -45.471 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -31.447 tors. eta vs tors. theta energy: -49.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -499.690282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.690282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.690282 (E_RNA) where: Base-Base interactions energy: -277.860 where: short stacking energy: -144.378 Base-Backbone interact. energy: -0.670 local terms energy: -221.159958 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -50.701 flat angles C4'-P-C4' energy: -38.139 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -26.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -497.091500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.091500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.091500 (E_RNA) where: Base-Base interactions energy: -308.432 where: short stacking energy: -154.107 Base-Backbone interact. energy: -1.542 local terms energy: -187.117019 where: bonds (distance) C4'-P energy: -47.191 bonds (distance) P-C4' energy: -49.911 flat angles C4'-P-C4' energy: -53.937 flat angles P-C4'-P energy: -19.960 tors. eta vs tors. theta energy: -16.118 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: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1026.744633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.744633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.744633 (E_RNA) where: Base-Base interactions energy: -724.763 where: short stacking energy: -299.826 Base-Backbone interact. energy: -0.569 local terms energy: -301.412960 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -57.659 flat angles C4'-P-C4' energy: -68.190 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -85.038 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: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1028.939178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.939178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.939178 (E_RNA) where: Base-Base interactions energy: -740.575 where: short stacking energy: -291.031 Base-Backbone interact. energy: -0.939 local terms energy: -287.424651 where: bonds (distance) C4'-P energy: -49.496 bonds (distance) P-C4' energy: -58.999 flat angles C4'-P-C4' energy: -61.382 flat angles P-C4'-P energy: -44.003 tors. eta vs tors. theta energy: -73.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -959.158550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.158550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.158550 (E_RNA) where: Base-Base interactions energy: -681.284 where: short stacking energy: -291.072 Base-Backbone interact. energy: 1.550 local terms energy: -279.423906 where: bonds (distance) C4'-P energy: -49.650 bonds (distance) P-C4' energy: -59.481 flat angles C4'-P-C4' energy: -59.855 flat angles P-C4'-P energy: -37.623 tors. eta vs tors. theta energy: -72.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -957.181474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.181474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.181474 (E_RNA) where: Base-Base interactions energy: -674.067 where: short stacking energy: -262.406 Base-Backbone interact. energy: 1.738 local terms energy: -284.852342 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -43.765 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -42.964 tors. eta vs tors. theta energy: -75.720 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: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -877.254261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.254261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.254261 (E_RNA) where: Base-Base interactions energy: -601.640 where: short stacking energy: -254.374 Base-Backbone interact. energy: -1.472 local terms energy: -274.142683 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -52.871 flat angles C4'-P-C4' energy: -58.465 flat angles P-C4'-P energy: -41.032 tors. eta vs tors. theta energy: -64.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -796.498095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.498095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.498095 (E_RNA) where: Base-Base interactions energy: -538.608 where: short stacking energy: -228.514 Base-Backbone interact. energy: -2.525 local terms energy: -255.364980 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -55.947 flat angles C4'-P-C4' energy: -59.534 flat angles P-C4'-P energy: -27.162 tors. eta vs tors. theta energy: -55.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -766.593106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.593106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.593106 (E_RNA) where: Base-Base interactions energy: -530.123 where: short stacking energy: -213.449 Base-Backbone interact. energy: 0.260 local terms energy: -236.729645 where: bonds (distance) C4'-P energy: -47.344 bonds (distance) P-C4' energy: -55.430 flat angles C4'-P-C4' energy: -49.669 flat angles P-C4'-P energy: -25.930 tors. eta vs tors. theta energy: -58.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -713.508327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.508327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.508327 (E_RNA) where: Base-Base interactions energy: -477.835 where: short stacking energy: -214.996 Base-Backbone interact. energy: 1.450 local terms energy: -237.123629 where: bonds (distance) C4'-P energy: -44.803 bonds (distance) P-C4' energy: -50.610 flat angles C4'-P-C4' energy: -47.441 flat angles P-C4'-P energy: -34.267 tors. eta vs tors. theta energy: -60.002 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: 223 Temperature: 1.300000 Total energy: -478.584830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.584830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.584830 (E_RNA) where: Base-Base interactions energy: -304.180 where: short stacking energy: -153.130 Base-Backbone interact. energy: -0.971 local terms energy: -173.434486 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -46.186 flat angles C4'-P-C4' energy: -33.775 flat angles P-C4'-P energy: -15.861 tors. eta vs tors. theta energy: -21.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -449.509512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.509512 (E_RNA) where: Base-Base interactions energy: -263.841 where: short stacking energy: -119.326 Base-Backbone interact. energy: -2.636 local terms energy: -183.032510 where: bonds (distance) C4'-P energy: -50.672 bonds (distance) P-C4' energy: -44.998 flat angles C4'-P-C4' energy: -44.897 flat angles P-C4'-P energy: -30.369 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1073.846398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.846398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.846398 (E_RNA) where: Base-Base interactions energy: -771.884 where: short stacking energy: -307.416 Base-Backbone interact. energy: -2.000 local terms energy: -299.962261 where: bonds (distance) C4'-P energy: -52.866 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -69.783 flat angles P-C4'-P energy: -39.519 tors. eta vs tors. theta energy: -83.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1017.713292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.713292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.713292 (E_RNA) where: Base-Base interactions energy: -711.239 where: short stacking energy: -285.898 Base-Backbone interact. energy: 0.287 local terms energy: -306.761102 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -70.006 flat angles P-C4'-P energy: -44.163 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: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -957.335685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.335685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.335685 (E_RNA) where: Base-Base interactions energy: -676.830 where: short stacking energy: -285.957 Base-Backbone interact. energy: -1.043 local terms energy: -279.462141 where: bonds (distance) C4'-P energy: -49.260 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -54.971 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -80.811 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: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -958.930604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.930604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.930604 (E_RNA) where: Base-Base interactions energy: -691.509 where: short stacking energy: -269.187 Base-Backbone interact. energy: -1.786 local terms energy: -265.635391 where: bonds (distance) C4'-P energy: -55.564 bonds (distance) P-C4' energy: -51.727 flat angles C4'-P-C4' energy: -52.061 flat angles P-C4'-P energy: -40.826 tors. eta vs tors. theta energy: -65.457 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: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -872.823356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.823356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.823356 (E_RNA) where: Base-Base interactions energy: -609.572 where: short stacking energy: -260.127 Base-Backbone interact. energy: 0.042 local terms energy: -263.293308 where: bonds (distance) C4'-P energy: -42.787 bonds (distance) P-C4' energy: -50.428 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -35.465 tors. eta vs tors. theta energy: -76.462 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: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -786.366616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.366616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.366616 (E_RNA) where: Base-Base interactions energy: -553.526 where: short stacking energy: -254.034 Base-Backbone interact. energy: -0.643 local terms energy: -232.196689 where: bonds (distance) C4'-P energy: -37.651 bonds (distance) P-C4' energy: -49.421 flat angles C4'-P-C4' energy: -49.788 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -57.807 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: 224 Temperature: 1.200000 Total energy: -765.788255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.788255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.788255 (E_RNA) where: Base-Base interactions energy: -535.805 where: short stacking energy: -232.936 Base-Backbone interact. energy: -0.936 local terms energy: -229.047580 where: bonds (distance) C4'-P energy: -45.126 bonds (distance) P-C4' energy: -49.533 flat angles C4'-P-C4' energy: -52.681 flat angles P-C4'-P energy: -26.300 tors. eta vs tors. theta energy: -55.407 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: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -705.156166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.156166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.156166 (E_RNA) where: Base-Base interactions energy: -457.873 where: short stacking energy: -187.697 Base-Backbone interact. energy: -0.313 local terms energy: -246.970171 where: bonds (distance) C4'-P energy: -51.503 bonds (distance) P-C4' energy: -53.651 flat angles C4'-P-C4' energy: -49.901 flat angles P-C4'-P energy: -37.940 tors. eta vs tors. theta energy: -53.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -478.509704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.509704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.509704 (E_RNA) where: Base-Base interactions energy: -303.126 where: short stacking energy: -156.245 Base-Backbone interact. energy: 1.295 local terms energy: -176.678477 where: bonds (distance) C4'-P energy: -27.830 bonds (distance) P-C4' energy: -52.178 flat angles C4'-P-C4' energy: -44.370 flat angles P-C4'-P energy: -29.639 tors. eta vs tors. theta energy: -22.661 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: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -448.874128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.874128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.874128 (E_RNA) where: Base-Base interactions energy: -278.253 where: short stacking energy: -127.714 Base-Backbone interact. energy: 0.319 local terms energy: -170.940306 where: bonds (distance) C4'-P energy: -43.007 bonds (distance) P-C4' energy: -47.436 flat angles C4'-P-C4' energy: -47.894 flat angles P-C4'-P energy: -30.344 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1059.277227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.277227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.277227 (E_RNA) where: Base-Base interactions energy: -763.577 where: short stacking energy: -305.615 Base-Backbone interact. energy: -0.147 local terms energy: -295.553146 where: bonds (distance) C4'-P energy: -47.273 bonds (distance) P-C4' energy: -57.541 flat angles C4'-P-C4' energy: -69.416 flat angles P-C4'-P energy: -39.334 tors. eta vs tors. theta energy: -81.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1016.405838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.405838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.405838 (E_RNA) where: Base-Base interactions energy: -718.028 where: short stacking energy: -308.346 Base-Backbone interact. energy: -1.529 local terms energy: -296.848648 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -67.943 flat angles P-C4'-P energy: -40.544 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: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -975.624033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.624033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.624033 (E_RNA) where: Base-Base interactions energy: -680.643 where: short stacking energy: -283.092 Base-Backbone interact. energy: -1.370 local terms energy: -293.610791 where: bonds (distance) C4'-P energy: -58.416 bonds (distance) P-C4' energy: -49.955 flat angles C4'-P-C4' energy: -61.635 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -81.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -933.432688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.432688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.432688 (E_RNA) where: Base-Base interactions energy: -651.779 where: short stacking energy: -272.816 Base-Backbone interact. energy: -1.421 local terms energy: -280.233169 where: bonds (distance) C4'-P energy: -50.320 bonds (distance) P-C4' energy: -50.604 flat angles C4'-P-C4' energy: -62.949 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -73.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -882.479522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.479522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.479522 (E_RNA) where: Base-Base interactions energy: -599.938 where: short stacking energy: -255.305 Base-Backbone interact. energy: -1.243 local terms energy: -281.298591 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -58.114 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -70.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -794.628288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.628288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.628288 (E_RNA) where: Base-Base interactions energy: -515.782 where: short stacking energy: -241.168 Base-Backbone interact. energy: -1.353 local terms energy: -277.492938 where: bonds (distance) C4'-P energy: -49.959 bonds (distance) P-C4' energy: -51.616 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: -64.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -789.018830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.018830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.018830 (E_RNA) where: Base-Base interactions energy: -528.394 where: short stacking energy: -222.805 Base-Backbone interact. energy: -1.225 local terms energy: -259.399274 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -51.495 flat angles C4'-P-C4' energy: -61.192 flat angles P-C4'-P energy: -21.603 tors. eta vs tors. theta energy: -67.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -701.918253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.918253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.918253 (E_RNA) where: Base-Base interactions energy: -474.388 where: short stacking energy: -209.831 Base-Backbone interact. energy: -0.419 local terms energy: -227.111303 where: bonds (distance) C4'-P energy: -49.239 bonds (distance) P-C4' energy: -45.378 flat angles C4'-P-C4' energy: -54.501 flat angles P-C4'-P energy: -32.931 tors. eta vs tors. theta energy: -45.063 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: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -512.642151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.642151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.642151 (E_RNA) where: Base-Base interactions energy: -312.834 where: short stacking energy: -166.131 Base-Backbone interact. energy: 2.685 local terms energy: -202.492715 where: bonds (distance) C4'-P energy: -56.445 bonds (distance) P-C4' energy: -49.239 flat angles C4'-P-C4' energy: -44.498 flat angles P-C4'-P energy: -26.250 tors. eta vs tors. theta energy: -26.060 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: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -471.489916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.489916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.489916 (E_RNA) where: Base-Base interactions energy: -301.253 where: short stacking energy: -138.231 Base-Backbone interact. energy: 5.642 local terms energy: -175.879558 where: bonds (distance) C4'-P energy: -43.147 bonds (distance) P-C4' energy: -45.834 flat angles C4'-P-C4' energy: -41.751 flat angles P-C4'-P energy: -25.193 tors. eta vs tors. theta energy: -19.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1062.287604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.287604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.287604 (E_RNA) where: Base-Base interactions energy: -757.965 where: short stacking energy: -308.638 Base-Backbone interact. energy: -1.905 local terms energy: -302.418224 where: bonds (distance) C4'-P energy: -62.479 bonds (distance) P-C4' energy: -46.325 flat angles C4'-P-C4' energy: -66.545 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -85.678 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: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -998.334509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.334509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.334509 (E_RNA) where: Base-Base interactions energy: -687.415 where: short stacking energy: -305.182 Base-Backbone interact. energy: -1.674 local terms energy: -309.245808 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -60.394 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -80.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -965.850619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.850619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.850619 (E_RNA) where: Base-Base interactions energy: -673.708 where: short stacking energy: -283.198 Base-Backbone interact. energy: -0.882 local terms energy: -291.261240 where: bonds (distance) C4'-P energy: -52.054 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -67.675 flat angles P-C4'-P energy: -35.498 tors. eta vs tors. theta energy: -75.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -916.842066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.842066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.842066 (E_RNA) where: Base-Base interactions energy: -650.052 where: short stacking energy: -254.185 Base-Backbone interact. energy: -1.427 local terms energy: -265.363187 where: bonds (distance) C4'-P energy: -48.355 bonds (distance) P-C4' energy: -52.178 flat angles C4'-P-C4' energy: -59.509 flat angles P-C4'-P energy: -34.281 tors. eta vs tors. theta energy: -71.040 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: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -868.696078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.696078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.696078 (E_RNA) where: Base-Base interactions energy: -598.634 where: short stacking energy: -254.652 Base-Backbone interact. energy: -1.307 local terms energy: -268.754652 where: bonds (distance) C4'-P energy: -58.350 bonds (distance) P-C4' energy: -48.998 flat angles C4'-P-C4' energy: -57.292 flat angles P-C4'-P energy: -34.456 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -778.806945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.806945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.806945 (E_RNA) where: Base-Base interactions energy: -534.663 where: short stacking energy: -234.696 Base-Backbone interact. energy: -1.056 local terms energy: -243.087444 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -44.865 flat angles C4'-P-C4' energy: -53.123 flat angles P-C4'-P energy: -32.786 tors. eta vs tors. theta energy: -57.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -756.953478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.953478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.953478 (E_RNA) where: Base-Base interactions energy: -505.866 where: short stacking energy: -222.999 Base-Backbone interact. energy: -0.017 local terms energy: -251.070204 where: bonds (distance) C4'-P energy: -46.833 bonds (distance) P-C4' energy: -48.298 flat angles C4'-P-C4' energy: -54.138 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -64.770 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: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -635.066523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.066523 (E_RNA) where: Base-Base interactions energy: -432.751 where: short stacking energy: -195.403 Base-Backbone interact. energy: -1.744 local terms energy: -200.571556 where: bonds (distance) C4'-P energy: -42.650 bonds (distance) P-C4' energy: -45.102 flat angles C4'-P-C4' energy: -46.768 flat angles P-C4'-P energy: -28.546 tors. eta vs tors. theta energy: -37.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -511.907983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.907983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.907983 (E_RNA) where: Base-Base interactions energy: -320.007 where: short stacking energy: -161.780 Base-Backbone interact. energy: 6.496 local terms energy: -198.397239 where: bonds (distance) C4'-P energy: -41.073 bonds (distance) P-C4' energy: -52.356 flat angles C4'-P-C4' energy: -45.718 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: -22.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -471.297869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.297869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.297869 (E_RNA) where: Base-Base interactions energy: -281.772 where: short stacking energy: -149.141 Base-Backbone interact. energy: 2.188 local terms energy: -191.714033 where: bonds (distance) C4'-P energy: -36.710 bonds (distance) P-C4' energy: -44.577 flat angles C4'-P-C4' energy: -51.715 flat angles P-C4'-P energy: -31.093 tors. eta vs tors. theta energy: -27.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1039.757562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.757562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.757562 (E_RNA) where: Base-Base interactions energy: -738.370 where: short stacking energy: -303.684 Base-Backbone interact. energy: -1.124 local terms energy: -300.263390 where: bonds (distance) C4'-P energy: -55.335 bonds (distance) P-C4' energy: -56.134 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -42.757 tors. eta vs tors. theta energy: -79.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -984.166379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.166379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.166379 (E_RNA) where: Base-Base interactions energy: -687.850 where: short stacking energy: -295.184 Base-Backbone interact. energy: -1.938 local terms energy: -294.377849 where: bonds (distance) C4'-P energy: -45.532 bonds (distance) P-C4' energy: -52.158 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -85.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -967.923898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.923898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.923898 (E_RNA) where: Base-Base interactions energy: -680.660 where: short stacking energy: -300.589 Base-Backbone interact. energy: 0.111 local terms energy: -287.374963 where: bonds (distance) C4'-P energy: -45.566 bonds (distance) P-C4' energy: -52.411 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -43.372 tors. eta vs tors. theta energy: -81.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -876.881944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.881944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.881944 (E_RNA) where: Base-Base interactions energy: -605.218 where: short stacking energy: -254.588 Base-Backbone interact. energy: 3.381 local terms energy: -275.045096 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -52.781 flat angles C4'-P-C4' energy: -58.980 flat angles P-C4'-P energy: -40.465 tors. eta vs tors. theta energy: -65.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -883.474611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.474611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.474611 (E_RNA) where: Base-Base interactions energy: -623.484 where: short stacking energy: -249.122 Base-Backbone interact. energy: -1.067 local terms energy: -258.923231 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -51.846 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -33.201 tors. eta vs tors. theta energy: -69.516 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: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -805.267532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.267532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.267532 (E_RNA) where: Base-Base interactions energy: -540.157 where: short stacking energy: -239.437 Base-Backbone interact. energy: 0.910 local terms energy: -266.020312 where: bonds (distance) C4'-P energy: -48.466 bonds (distance) P-C4' energy: -51.927 flat angles C4'-P-C4' energy: -66.350 flat angles P-C4'-P energy: -31.065 tors. eta vs tors. theta energy: -68.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -727.147957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.147957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.147957 (E_RNA) where: Base-Base interactions energy: -487.239 where: short stacking energy: -221.746 Base-Backbone interact. energy: 0.101 local terms energy: -240.010209 where: bonds (distance) C4'-P energy: -49.832 bonds (distance) P-C4' energy: -46.962 flat angles C4'-P-C4' energy: -52.219 flat angles P-C4'-P energy: -42.484 tors. eta vs tors. theta energy: -48.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -576.637808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.637808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.637808 (E_RNA) where: Base-Base interactions energy: -351.368 where: short stacking energy: -163.435 Base-Backbone interact. energy: -0.410 local terms energy: -224.858884 where: bonds (distance) C4'-P energy: -44.306 bonds (distance) P-C4' energy: -52.601 flat angles C4'-P-C4' energy: -54.067 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -30.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -550.271375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.271375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.271375 (E_RNA) where: Base-Base interactions energy: -359.065 where: short stacking energy: -162.003 Base-Backbone interact. energy: -0.158 local terms energy: -191.048729 where: bonds (distance) C4'-P energy: -38.661 bonds (distance) P-C4' energy: -43.850 flat angles C4'-P-C4' energy: -46.948 flat angles P-C4'-P energy: -28.701 tors. eta vs tors. theta energy: -32.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -467.676156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.676156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.676156 (E_RNA) where: Base-Base interactions energy: -283.511 where: short stacking energy: -148.429 Base-Backbone interact. energy: -0.337 local terms energy: -183.827983 where: bonds (distance) C4'-P energy: -40.564 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -41.620 flat angles P-C4'-P energy: -28.473 tors. eta vs tors. theta energy: -18.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1055.570578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.570578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.570578 (E_RNA) where: Base-Base interactions energy: -748.355 where: short stacking energy: -299.476 Base-Backbone interact. energy: -1.650 local terms energy: -305.564995 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -60.167 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -85.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -971.683706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.683706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.683706 (E_RNA) where: Base-Base interactions energy: -671.848 where: short stacking energy: -296.457 Base-Backbone interact. energy: -0.790 local terms energy: -299.045844 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -60.586 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -79.221 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: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -984.420430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.420430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.420430 (E_RNA) where: Base-Base interactions energy: -687.237 where: short stacking energy: -298.450 Base-Backbone interact. energy: 0.106 local terms energy: -297.289310 where: bonds (distance) C4'-P energy: -46.476 bonds (distance) P-C4' energy: -54.025 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: -90.423 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: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -842.639874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.639874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.639874 (E_RNA) where: Base-Base interactions energy: -582.282 where: short stacking energy: -260.587 Base-Backbone interact. energy: -1.130 local terms energy: -259.227399 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -52.785 flat angles P-C4'-P energy: -24.570 tors. eta vs tors. theta energy: -69.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -880.927691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.927691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.927691 (E_RNA) where: Base-Base interactions energy: -612.679 where: short stacking energy: -244.449 Base-Backbone interact. energy: -1.557 local terms energy: -266.691361 where: bonds (distance) C4'-P energy: -48.221 bonds (distance) P-C4' energy: -62.255 flat angles C4'-P-C4' energy: -54.548 flat angles P-C4'-P energy: -35.616 tors. eta vs tors. theta energy: -66.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -808.221771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.221771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.221771 (E_RNA) where: Base-Base interactions energy: -555.783 where: short stacking energy: -259.126 Base-Backbone interact. energy: -2.031 local terms energy: -250.407315 where: bonds (distance) C4'-P energy: -44.081 bonds (distance) P-C4' energy: -47.132 flat angles C4'-P-C4' energy: -57.828 flat angles P-C4'-P energy: -26.140 tors. eta vs tors. theta energy: -75.227 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: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -756.307350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.307350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.307350 (E_RNA) where: Base-Base interactions energy: -524.982 where: short stacking energy: -226.946 Base-Backbone interact. energy: -1.553 local terms energy: -229.772439 where: bonds (distance) C4'-P energy: -50.060 bonds (distance) P-C4' energy: -56.293 flat angles C4'-P-C4' energy: -54.560 flat angles P-C4'-P energy: -25.010 tors. eta vs tors. theta energy: -43.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -554.401311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.401311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.401311 (E_RNA) where: Base-Base interactions energy: -349.609 where: short stacking energy: -165.539 Base-Backbone interact. energy: -0.137 local terms energy: -204.654703 where: bonds (distance) C4'-P energy: -36.820 bonds (distance) P-C4' energy: -58.803 flat angles C4'-P-C4' energy: -52.220 flat angles P-C4'-P energy: -31.647 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: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -484.517046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.517046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.517046 (E_RNA) where: Base-Base interactions energy: -296.943 where: short stacking energy: -131.210 Base-Backbone interact. energy: -1.524 local terms energy: -186.049182 where: bonds (distance) C4'-P energy: -45.705 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -41.848 flat angles P-C4'-P energy: -23.356 tors. eta vs tors. theta energy: -24.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -473.757741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.757741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.757741 (E_RNA) where: Base-Base interactions energy: -274.040 where: short stacking energy: -137.874 Base-Backbone interact. energy: -1.040 local terms energy: -198.677236 where: bonds (distance) C4'-P energy: -47.817 bonds (distance) P-C4' energy: -38.945 flat angles C4'-P-C4' energy: -44.882 flat angles P-C4'-P energy: -32.958 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: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1037.487479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.487479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.487479 (E_RNA) where: Base-Base interactions energy: -724.227 where: short stacking energy: -312.922 Base-Backbone interact. energy: -2.001 local terms energy: -311.259784 where: bonds (distance) C4'-P energy: -55.830 bonds (distance) P-C4' energy: -48.361 flat angles C4'-P-C4' energy: -67.846 flat angles P-C4'-P energy: -49.773 tors. eta vs tors. theta energy: -89.450 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: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -993.139899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.139899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.139899 (E_RNA) where: Base-Base interactions energy: -678.714 where: short stacking energy: -291.819 Base-Backbone interact. energy: -0.957 local terms energy: -313.469083 where: bonds (distance) C4'-P energy: -52.942 bonds (distance) P-C4' energy: -58.948 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -43.966 tors. eta vs tors. theta energy: -88.422 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -959.728491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.728491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.728491 (E_RNA) where: Base-Base interactions energy: -672.368 where: short stacking energy: -281.087 Base-Backbone interact. energy: -1.819 local terms energy: -285.541040 where: bonds (distance) C4'-P energy: -55.292 bonds (distance) P-C4' energy: -48.177 flat angles C4'-P-C4' energy: -64.940 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -887.430691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.430691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.430691 (E_RNA) where: Base-Base interactions energy: -620.892 where: short stacking energy: -254.487 Base-Backbone interact. energy: 3.763 local terms energy: -270.302204 where: bonds (distance) C4'-P energy: -54.083 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -62.986 flat angles P-C4'-P energy: -29.841 tors. eta vs tors. theta energy: -65.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -822.541261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.541261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.541261 (E_RNA) where: Base-Base interactions energy: -555.100 where: short stacking energy: -231.649 Base-Backbone interact. energy: -0.929 local terms energy: -266.512410 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -60.285 flat angles C4'-P-C4' energy: -55.163 flat angles P-C4'-P energy: -36.600 tors. eta vs tors. theta energy: -54.307 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: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -810.726214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.726214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.726214 (E_RNA) where: Base-Base interactions energy: -546.110 where: short stacking energy: -240.525 Base-Backbone interact. energy: -0.993 local terms energy: -263.622721 where: bonds (distance) C4'-P energy: -45.175 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -54.502 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -63.927 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: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -746.350481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.350481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.350481 (E_RNA) where: Base-Base interactions energy: -497.816 where: short stacking energy: -217.107 Base-Backbone interact. energy: -1.278 local terms energy: -247.256509 where: bonds (distance) C4'-P energy: -46.681 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -29.320 tors. eta vs tors. theta energy: -53.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -562.516106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.516106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.516106 (E_RNA) where: Base-Base interactions energy: -363.279 where: short stacking energy: -170.388 Base-Backbone interact. energy: -0.722 local terms energy: -198.515189 where: bonds (distance) C4'-P energy: -29.922 bonds (distance) P-C4' energy: -55.907 flat angles C4'-P-C4' energy: -47.322 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -29.173 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: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -478.023915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.023915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.023915 (E_RNA) where: Base-Base interactions energy: -305.119 where: short stacking energy: -141.328 Base-Backbone interact. energy: 1.094 local terms energy: -173.998754 where: bonds (distance) C4'-P energy: -44.590 bonds (distance) P-C4' energy: -48.555 flat angles C4'-P-C4' energy: -45.783 flat angles P-C4'-P energy: -22.203 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -494.664873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.664873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.664873 (E_RNA) where: Base-Base interactions energy: -303.498 where: short stacking energy: -152.921 Base-Backbone interact. energy: -0.891 local terms energy: -190.276215 where: bonds (distance) C4'-P energy: -38.853 bonds (distance) P-C4' energy: -47.041 flat angles C4'-P-C4' energy: -56.518 flat angles P-C4'-P energy: -30.550 tors. eta vs tors. theta energy: -17.314 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: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1046.520197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.520197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.520197 (E_RNA) where: Base-Base interactions energy: -732.440 where: short stacking energy: -301.687 Base-Backbone interact. energy: -1.455 local terms energy: -312.625250 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -70.906 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -81.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1002.715144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.715144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.715144 (E_RNA) where: Base-Base interactions energy: -692.471 where: short stacking energy: -304.594 Base-Backbone interact. energy: 1.393 local terms energy: -311.637973 where: bonds (distance) C4'-P energy: -52.380 bonds (distance) P-C4' energy: -62.826 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -93.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -971.521396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.521396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.521396 (E_RNA) where: Base-Base interactions energy: -685.695 where: short stacking energy: -279.473 Base-Backbone interact. energy: -2.290 local terms energy: -283.536835 where: bonds (distance) C4'-P energy: -49.935 bonds (distance) P-C4' energy: -55.021 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -35.213 tors. eta vs tors. theta energy: -87.803 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: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -888.221987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.221987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.221987 (E_RNA) where: Base-Base interactions energy: -618.182 where: short stacking energy: -262.259 Base-Backbone interact. energy: -1.862 local terms energy: -268.178152 where: bonds (distance) C4'-P energy: -53.668 bonds (distance) P-C4' energy: -49.592 flat angles C4'-P-C4' energy: -57.819 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: -68.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -830.725277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.725277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.725277 (E_RNA) where: Base-Base interactions energy: -565.287 where: short stacking energy: -248.158 Base-Backbone interact. energy: 0.916 local terms energy: -266.354106 where: bonds (distance) C4'-P energy: -48.863 bonds (distance) P-C4' energy: -55.701 flat angles C4'-P-C4' energy: -56.516 flat angles P-C4'-P energy: -34.296 tors. eta vs tors. theta energy: -70.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -808.076927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.076927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.076927 (E_RNA) where: Base-Base interactions energy: -558.810 where: short stacking energy: -227.969 Base-Backbone interact. energy: 0.325 local terms energy: -249.591285 where: bonds (distance) C4'-P energy: -43.099 bonds (distance) P-C4' energy: -56.228 flat angles C4'-P-C4' energy: -54.656 flat angles P-C4'-P energy: -35.633 tors. eta vs tors. theta energy: -59.975 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: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -704.138413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.138413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.138413 (E_RNA) where: Base-Base interactions energy: -470.811 where: short stacking energy: -214.135 Base-Backbone interact. energy: -0.267 local terms energy: -233.061007 where: bonds (distance) C4'-P energy: -38.627 bonds (distance) P-C4' energy: -46.454 flat angles C4'-P-C4' energy: -55.191 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -51.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -603.045260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.045260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.045260 (E_RNA) where: Base-Base interactions energy: -381.871 where: short stacking energy: -167.299 Base-Backbone interact. energy: -0.516 local terms energy: -220.657958 where: bonds (distance) C4'-P energy: -60.615 bonds (distance) P-C4' energy: -47.136 flat angles C4'-P-C4' energy: -56.603 flat angles P-C4'-P energy: -25.350 tors. eta vs tors. theta energy: -30.953 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: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -475.869593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.869593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.869593 (E_RNA) where: Base-Base interactions energy: -315.354 where: short stacking energy: -164.190 Base-Backbone interact. energy: -0.239 local terms energy: -160.277187 where: bonds (distance) C4'-P energy: -34.040 bonds (distance) P-C4' energy: -43.339 flat angles C4'-P-C4' energy: -37.754 flat angles P-C4'-P energy: -19.532 tors. eta vs tors. theta energy: -25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -493.004280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.004280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.004280 (E_RNA) where: Base-Base interactions energy: -316.979 where: short stacking energy: -144.511 Base-Backbone interact. energy: -0.699 local terms energy: -175.326668 where: bonds (distance) C4'-P energy: -47.542 bonds (distance) P-C4' energy: -49.563 flat angles C4'-P-C4' energy: -33.004 flat angles P-C4'-P energy: -21.164 tors. eta vs tors. theta energy: -24.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1051.200480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.200480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.200480 (E_RNA) where: Base-Base interactions energy: -731.642 where: short stacking energy: -299.055 Base-Backbone interact. energy: 0.206 local terms energy: -319.764859 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -63.259 flat angles C4'-P-C4' energy: -63.139 flat angles P-C4'-P energy: -49.081 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: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1001.652240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.652240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.652240 (E_RNA) where: Base-Base interactions energy: -692.076 where: short stacking energy: -308.233 Base-Backbone interact. energy: 1.995 local terms energy: -311.570907 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -54.135 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -49.784 tors. eta vs tors. theta energy: -83.370 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: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -984.433311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.433311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.433311 (E_RNA) where: Base-Base interactions energy: -693.058 where: short stacking energy: -283.478 Base-Backbone interact. energy: -1.917 local terms energy: -289.458593 where: bonds (distance) C4'-P energy: -54.392 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -63.615 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -77.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -895.080436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.080436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.080436 (E_RNA) where: Base-Base interactions energy: -619.792 where: short stacking energy: -263.284 Base-Backbone interact. energy: -0.664 local terms energy: -274.624721 where: bonds (distance) C4'-P energy: -54.564 bonds (distance) P-C4' energy: -57.181 flat angles C4'-P-C4' energy: -53.950 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: -73.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -833.629977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.629977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.629977 (E_RNA) where: Base-Base interactions energy: -557.009 where: short stacking energy: -259.287 Base-Backbone interact. energy: -1.065 local terms energy: -275.555818 where: bonds (distance) C4'-P energy: -53.812 bonds (distance) P-C4' energy: -55.855 flat angles C4'-P-C4' energy: -63.914 flat angles P-C4'-P energy: -28.950 tors. eta vs tors. theta energy: -73.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -839.841458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.841458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.841458 (E_RNA) where: Base-Base interactions energy: -561.029 where: short stacking energy: -241.529 Base-Backbone interact. energy: 2.234 local terms energy: -281.046175 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -48.059 flat angles C4'-P-C4' energy: -63.070 flat angles P-C4'-P energy: -44.180 tors. eta vs tors. theta energy: -69.254 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: 231 Temperature: 1.200000 Total energy: -701.642919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.642919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.642919 (E_RNA) where: Base-Base interactions energy: -458.176 where: short stacking energy: -203.279 Base-Backbone interact. energy: -1.650 local terms energy: -241.816615 where: bonds (distance) C4'-P energy: -48.461 bonds (distance) P-C4' energy: -55.630 flat angles C4'-P-C4' energy: -48.754 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -50.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -483.170371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.170371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.170371 (E_RNA) where: Base-Base interactions energy: -287.477 where: short stacking energy: -134.738 Base-Backbone interact. energy: 0.813 local terms energy: -196.506474 where: bonds (distance) C4'-P energy: -41.902 bonds (distance) P-C4' energy: -53.938 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -23.196 tors. eta vs tors. theta energy: -19.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -478.059311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.059311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.059311 (E_RNA) where: Base-Base interactions energy: -303.021 where: short stacking energy: -131.442 Base-Backbone interact. energy: 2.502 local terms energy: -177.539904 where: bonds (distance) C4'-P energy: -48.794 bonds (distance) P-C4' energy: -43.925 flat angles C4'-P-C4' energy: -40.630 flat angles P-C4'-P energy: -27.106 tors. eta vs tors. theta energy: -17.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -357.949980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.949980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.949980 (E_RNA) where: Base-Base interactions energy: -194.345 where: short stacking energy: -104.106 Base-Backbone interact. energy: -0.393 local terms energy: -163.211983 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -44.286 flat angles C4'-P-C4' energy: -32.787 flat angles P-C4'-P energy: -25.268 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1063.222706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.222706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.222706 (E_RNA) where: Base-Base interactions energy: -761.058 where: short stacking energy: -308.791 Base-Backbone interact. energy: -2.163 local terms energy: -300.001372 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -52.729 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -87.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -979.002916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.002916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.002916 (E_RNA) where: Base-Base interactions energy: -687.183 where: short stacking energy: -298.566 Base-Backbone interact. energy: -0.817 local terms energy: -291.002392 where: bonds (distance) C4'-P energy: -55.068 bonds (distance) P-C4' energy: -60.880 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -79.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -971.779404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.779404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.779404 (E_RNA) where: Base-Base interactions energy: -668.401 where: short stacking energy: -280.830 Base-Backbone interact. energy: 1.234 local terms energy: -304.612773 where: bonds (distance) C4'-P energy: -50.930 bonds (distance) P-C4' energy: -64.677 flat angles C4'-P-C4' energy: -66.356 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -82.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -900.324136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.324136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.324136 (E_RNA) where: Base-Base interactions energy: -637.084 where: short stacking energy: -257.775 Base-Backbone interact. energy: -1.282 local terms energy: -261.958938 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -47.145 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -63.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -871.398067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.398067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.398067 (E_RNA) where: Base-Base interactions energy: -585.460 where: short stacking energy: -253.368 Base-Backbone interact. energy: -1.714 local terms energy: -284.224731 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -44.153 flat angles C4'-P-C4' energy: -63.512 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -73.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -855.534806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.534806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.534806 (E_RNA) where: Base-Base interactions energy: -593.556 where: short stacking energy: -248.913 Base-Backbone interact. energy: -0.567 local terms energy: -261.411398 where: bonds (distance) C4'-P energy: -47.757 bonds (distance) P-C4' energy: -49.677 flat angles C4'-P-C4' energy: -61.305 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -70.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -662.512010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.512010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.512010 (E_RNA) where: Base-Base interactions energy: -419.372 where: short stacking energy: -203.797 Base-Backbone interact. energy: -1.031 local terms energy: -242.109096 where: bonds (distance) C4'-P energy: -50.980 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -56.091 flat angles P-C4'-P energy: -25.747 tors. eta vs tors. theta energy: -53.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -536.473666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.473666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.473666 (E_RNA) where: Base-Base interactions energy: -318.990 where: short stacking energy: -162.457 Base-Backbone interact. energy: -0.613 local terms energy: -216.870436 where: bonds (distance) C4'-P energy: -48.204 bonds (distance) P-C4' energy: -50.808 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -30.280 tors. eta vs tors. theta energy: -28.931 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: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -507.896490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.896490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.896490 (E_RNA) where: Base-Base interactions energy: -311.145 where: short stacking energy: -156.145 Base-Backbone interact. energy: 2.705 local terms energy: -199.456240 where: bonds (distance) C4'-P energy: -46.541 bonds (distance) P-C4' energy: -41.565 flat angles C4'-P-C4' energy: -54.793 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -17.057 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: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -406.010239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.010239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.010239 (E_RNA) where: Base-Base interactions energy: -248.235 where: short stacking energy: -116.990 Base-Backbone interact. energy: -1.831 local terms energy: -155.944321 where: bonds (distance) C4'-P energy: -48.256 bonds (distance) P-C4' energy: -55.025 flat angles C4'-P-C4' energy: -34.746 flat angles P-C4'-P energy: -17.054 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1031.824445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.824445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.824445 (E_RNA) where: Base-Base interactions energy: -720.740 where: short stacking energy: -299.610 Base-Backbone interact. energy: -3.092 local terms energy: -307.992211 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -58.526 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -83.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -976.856527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.856527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.856527 (E_RNA) where: Base-Base interactions energy: -679.765 where: short stacking energy: -268.603 Base-Backbone interact. energy: 0.310 local terms energy: -297.402166 where: bonds (distance) C4'-P energy: -52.153 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -67.605 flat angles P-C4'-P energy: -40.772 tors. eta vs tors. theta energy: -85.058 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: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -969.726649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.726649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.726649 (E_RNA) where: Base-Base interactions energy: -674.876 where: short stacking energy: -282.544 Base-Backbone interact. energy: 3.270 local terms energy: -298.120679 where: bonds (distance) C4'-P energy: -54.683 bonds (distance) P-C4' energy: -56.372 flat angles C4'-P-C4' energy: -61.289 flat angles P-C4'-P energy: -39.283 tors. eta vs tors. theta energy: -86.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -912.957882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.957882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.957882 (E_RNA) where: Base-Base interactions energy: -627.040 where: short stacking energy: -289.096 Base-Backbone interact. energy: -1.210 local terms energy: -284.708191 where: bonds (distance) C4'-P energy: -53.444 bonds (distance) P-C4' energy: -49.084 flat angles C4'-P-C4' energy: -62.520 flat angles P-C4'-P energy: -38.588 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: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -875.248455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.248455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.248455 (E_RNA) where: Base-Base interactions energy: -598.373 where: short stacking energy: -260.151 Base-Backbone interact. energy: -0.639 local terms energy: -276.237063 where: bonds (distance) C4'-P energy: -56.194 bonds (distance) P-C4' energy: -52.222 flat angles C4'-P-C4' energy: -62.476 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: -69.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -833.621626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.621626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.621626 (E_RNA) where: Base-Base interactions energy: -586.776 where: short stacking energy: -237.447 Base-Backbone interact. energy: -0.687 local terms energy: -246.158794 where: bonds (distance) C4'-P energy: -43.375 bonds (distance) P-C4' energy: -48.251 flat angles C4'-P-C4' energy: -51.246 flat angles P-C4'-P energy: -33.353 tors. eta vs tors. theta energy: -69.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -682.622094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.622094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.622094 (E_RNA) where: Base-Base interactions energy: -437.211 where: short stacking energy: -191.810 Base-Backbone interact. energy: -1.060 local terms energy: -244.350678 where: bonds (distance) C4'-P energy: -49.186 bonds (distance) P-C4' energy: -52.685 flat angles C4'-P-C4' energy: -52.459 flat angles P-C4'-P energy: -46.749 tors. eta vs tors. theta energy: -43.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -521.811021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.811021 (E_RNA) where: Base-Base interactions energy: -314.779 where: short stacking energy: -155.196 Base-Backbone interact. energy: 0.304 local terms energy: -207.336075 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -49.199 flat angles C4'-P-C4' energy: -48.439 flat angles P-C4'-P energy: -31.620 tors. eta vs tors. theta energy: -22.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -494.288390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.288390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.288390 (E_RNA) where: Base-Base interactions energy: -298.737 where: short stacking energy: -147.547 Base-Backbone interact. energy: -1.130 local terms energy: -194.420749 where: bonds (distance) C4'-P energy: -45.204 bonds (distance) P-C4' energy: -58.385 flat angles C4'-P-C4' energy: -44.715 flat angles P-C4'-P energy: -24.481 tors. eta vs tors. theta energy: -21.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -419.494154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.494154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.494154 (E_RNA) where: Base-Base interactions energy: -251.349 where: short stacking energy: -132.890 Base-Backbone interact. energy: -0.862 local terms energy: -167.283579 where: bonds (distance) C4'-P energy: -30.808 bonds (distance) P-C4' energy: -56.312 flat angles C4'-P-C4' energy: -39.766 flat angles P-C4'-P energy: -27.044 tors. eta vs tors. theta energy: -13.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1027.619442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.619442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.619442 (E_RNA) where: Base-Base interactions energy: -725.861 where: short stacking energy: -306.758 Base-Backbone interact. energy: -3.639 local terms energy: -298.119101 where: bonds (distance) C4'-P energy: -52.777 bonds (distance) P-C4' energy: -51.719 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -81.137 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: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -968.276965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.276965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.276965 (E_RNA) where: Base-Base interactions energy: -663.603 where: short stacking energy: -275.865 Base-Backbone interact. energy: -0.669 local terms energy: -304.005264 where: bonds (distance) C4'-P energy: -59.624 bonds (distance) P-C4' energy: -55.855 flat angles C4'-P-C4' energy: -66.069 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -74.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -973.425463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.425463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.425463 (E_RNA) where: Base-Base interactions energy: -669.842 where: short stacking energy: -281.547 Base-Backbone interact. energy: -0.218 local terms energy: -303.366280 where: bonds (distance) C4'-P energy: -58.100 bonds (distance) P-C4' energy: -59.692 flat angles C4'-P-C4' energy: -61.869 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -82.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -892.862577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.862577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.862577 (E_RNA) where: Base-Base interactions energy: -621.290 where: short stacking energy: -266.360 Base-Backbone interact. energy: -1.193 local terms energy: -270.380380 where: bonds (distance) C4'-P energy: -48.874 bonds (distance) P-C4' energy: -59.258 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -35.292 tors. eta vs tors. theta energy: -67.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -868.502542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.502542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.502542 (E_RNA) where: Base-Base interactions energy: -609.053 where: short stacking energy: -260.048 Base-Backbone interact. energy: -1.060 local terms energy: -258.389808 where: bonds (distance) C4'-P energy: -54.338 bonds (distance) P-C4' energy: -52.841 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -22.498 tors. eta vs tors. theta energy: -65.029 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: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -823.240512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.240512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.240512 (E_RNA) where: Base-Base interactions energy: -576.071 where: short stacking energy: -235.043 Base-Backbone interact. energy: -1.508 local terms energy: -245.661182 where: bonds (distance) C4'-P energy: -58.817 bonds (distance) P-C4' energy: -52.181 flat angles C4'-P-C4' energy: -54.183 flat angles P-C4'-P energy: -29.957 tors. eta vs tors. theta energy: -50.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -660.072500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.072500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.072500 (E_RNA) where: Base-Base interactions energy: -435.381 where: short stacking energy: -201.125 Base-Backbone interact. energy: 0.980 local terms energy: -225.672037 where: bonds (distance) C4'-P energy: -52.734 bonds (distance) P-C4' energy: -38.392 flat angles C4'-P-C4' energy: -49.183 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -45.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -516.156698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.156698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.156698 (E_RNA) where: Base-Base interactions energy: -315.200 where: short stacking energy: -162.271 Base-Backbone interact. energy: 1.205 local terms energy: -202.161184 where: bonds (distance) C4'-P energy: -42.700 bonds (distance) P-C4' energy: -44.673 flat angles C4'-P-C4' energy: -52.655 flat angles P-C4'-P energy: -29.614 tors. eta vs tors. theta energy: -32.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -473.122797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.122797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.122797 (E_RNA) where: Base-Base interactions energy: -290.155 where: short stacking energy: -124.795 Base-Backbone interact. energy: 0.589 local terms energy: -183.556650 where: bonds (distance) C4'-P energy: -50.225 bonds (distance) P-C4' energy: -48.437 flat angles C4'-P-C4' energy: -52.632 flat angles P-C4'-P energy: -30.708 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -434.137677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.137677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.137677 (E_RNA) where: Base-Base interactions energy: -247.827 where: short stacking energy: -109.622 Base-Backbone interact. energy: -0.889 local terms energy: -185.421158 where: bonds (distance) C4'-P energy: -47.115 bonds (distance) P-C4' energy: -50.334 flat angles C4'-P-C4' energy: -48.811 flat angles P-C4'-P energy: -24.085 tors. eta vs tors. theta energy: -15.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1045.158693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.158693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.158693 (E_RNA) where: Base-Base interactions energy: -712.148 where: short stacking energy: -295.924 Base-Backbone interact. energy: -4.034 local terms energy: -328.975997 where: bonds (distance) C4'-P energy: -62.222 bonds (distance) P-C4' energy: -67.919 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -86.610 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: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -986.939549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.939549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.939549 (E_RNA) where: Base-Base interactions energy: -691.763 where: short stacking energy: -288.285 Base-Backbone interact. energy: 2.418 local terms energy: -297.594093 where: bonds (distance) C4'-P energy: -48.624 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -68.929 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -83.249 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: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -983.512447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.512447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.512447 (E_RNA) where: Base-Base interactions energy: -691.155 where: short stacking energy: -297.844 Base-Backbone interact. energy: -0.656 local terms energy: -291.701165 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -53.181 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -40.267 tors. eta vs tors. theta energy: -83.859 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -886.109446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.109446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.109446 (E_RNA) where: Base-Base interactions energy: -613.246 where: short stacking energy: -261.405 Base-Backbone interact. energy: -0.126 local terms energy: -272.738087 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: -66.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -840.748172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.748172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.748172 (E_RNA) where: Base-Base interactions energy: -585.136 where: short stacking energy: -271.025 Base-Backbone interact. energy: -0.864 local terms energy: -254.748465 where: bonds (distance) C4'-P energy: -48.413 bonds (distance) P-C4' energy: -55.184 flat angles C4'-P-C4' energy: -49.630 flat angles P-C4'-P energy: -33.971 tors. eta vs tors. theta energy: -67.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -835.349819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.349819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.349819 (E_RNA) where: Base-Base interactions energy: -576.439 where: short stacking energy: -241.036 Base-Backbone interact. energy: 1.427 local terms energy: -260.337843 where: bonds (distance) C4'-P energy: -56.254 bonds (distance) P-C4' energy: -44.483 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -66.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -699.195331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.195331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.195331 (E_RNA) where: Base-Base interactions energy: -464.227 where: short stacking energy: -201.656 Base-Backbone interact. energy: -0.346 local terms energy: -234.622815 where: bonds (distance) C4'-P energy: -41.134 bonds (distance) P-C4' energy: -59.719 flat angles C4'-P-C4' energy: -46.236 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -48.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -511.428307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.428307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.428307 (E_RNA) where: Base-Base interactions energy: -302.597 where: short stacking energy: -149.621 Base-Backbone interact. energy: -0.029 local terms energy: -208.802553 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -44.256 flat angles P-C4'-P energy: -29.275 tors. eta vs tors. theta energy: -25.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -490.656569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.656569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.656569 (E_RNA) where: Base-Base interactions energy: -294.032 where: short stacking energy: -157.952 Base-Backbone interact. energy: 1.155 local terms energy: -197.779890 where: bonds (distance) C4'-P energy: -49.158 bonds (distance) P-C4' energy: -52.281 flat angles C4'-P-C4' energy: -53.173 flat angles P-C4'-P energy: -22.182 tors. eta vs tors. theta energy: -20.987 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: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -432.836853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.836853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.836853 (E_RNA) where: Base-Base interactions energy: -255.785 where: short stacking energy: -137.673 Base-Backbone interact. energy: -1.786 local terms energy: -175.265934 where: bonds (distance) C4'-P energy: -33.852 bonds (distance) P-C4' energy: -52.103 flat angles C4'-P-C4' energy: -40.643 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: -17.577 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: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -996.501639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.501639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.501639 (E_RNA) where: Base-Base interactions energy: -698.859 where: short stacking energy: -290.583 Base-Backbone interact. energy: -1.526 local terms energy: -296.116806 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -53.892 flat angles C4'-P-C4' energy: -63.503 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -79.100 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: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1027.348725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.348725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.348725 (E_RNA) where: Base-Base interactions energy: -734.441 where: short stacking energy: -297.552 Base-Backbone interact. energy: -0.149 local terms energy: -292.758587 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -52.081 flat angles C4'-P-C4' energy: -64.436 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -88.103 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: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1001.224256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.224256 (E_RNA) where: Base-Base interactions energy: -698.010 where: short stacking energy: -290.665 Base-Backbone interact. energy: -0.749 local terms energy: -302.465426 where: bonds (distance) C4'-P energy: -52.599 bonds (distance) P-C4' energy: -56.979 flat angles C4'-P-C4' energy: -70.552 flat angles P-C4'-P energy: -36.744 tors. eta vs tors. theta energy: -85.591 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: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -884.280458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.280458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.280458 (E_RNA) where: Base-Base interactions energy: -599.058 where: short stacking energy: -262.531 Base-Backbone interact. energy: -1.755 local terms energy: -283.468030 where: bonds (distance) C4'-P energy: -51.485 bonds (distance) P-C4' energy: -59.405 flat angles C4'-P-C4' energy: -63.564 flat angles P-C4'-P energy: -38.589 tors. eta vs tors. theta energy: -70.425 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: 236 Temperature: 1.100000 Total energy: -851.138556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.138556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.138556 (E_RNA) where: Base-Base interactions energy: -600.358 where: short stacking energy: -258.715 Base-Backbone interact. energy: -0.778 local terms energy: -250.002245 where: bonds (distance) C4'-P energy: -44.399 bonds (distance) P-C4' energy: -38.483 flat angles C4'-P-C4' energy: -58.893 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -72.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -812.896611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.896611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.896611 (E_RNA) where: Base-Base interactions energy: -555.477 where: short stacking energy: -250.210 Base-Backbone interact. energy: 0.316 local terms energy: -257.735369 where: bonds (distance) C4'-P energy: -52.525 bonds (distance) P-C4' energy: -49.811 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -32.049 tors. eta vs tors. theta energy: -62.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -678.013739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.013739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.013739 (E_RNA) where: Base-Base interactions energy: -448.312 where: short stacking energy: -203.654 Base-Backbone interact. energy: -0.477 local terms energy: -229.223927 where: bonds (distance) C4'-P energy: -36.970 bonds (distance) P-C4' energy: -52.087 flat angles C4'-P-C4' energy: -54.369 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -51.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -504.878820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.878820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.878820 (E_RNA) where: Base-Base interactions energy: -306.174 where: short stacking energy: -157.091 Base-Backbone interact. energy: -1.027 local terms energy: -197.677884 where: bonds (distance) C4'-P energy: -52.107 bonds (distance) P-C4' energy: -35.241 flat angles C4'-P-C4' energy: -48.709 flat angles P-C4'-P energy: -31.320 tors. eta vs tors. theta energy: -30.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -475.007080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.007080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.007080 (E_RNA) where: Base-Base interactions energy: -297.543 where: short stacking energy: -130.667 Base-Backbone interact. energy: 2.415 local terms energy: -179.878863 where: bonds (distance) C4'-P energy: -39.519 bonds (distance) P-C4' energy: -55.564 flat angles C4'-P-C4' energy: -44.221 flat angles P-C4'-P energy: -16.926 tors. eta vs tors. theta energy: -23.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -458.351675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.351675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.351675 (E_RNA) where: Base-Base interactions energy: -276.678 where: short stacking energy: -137.617 Base-Backbone interact. energy: -1.027 local terms energy: -180.646008 where: bonds (distance) C4'-P energy: -44.198 bonds (distance) P-C4' energy: -40.640 flat angles C4'-P-C4' energy: -46.394 flat angles P-C4'-P energy: -23.913 tors. eta vs tors. theta energy: -25.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1014.587477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.587477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.587477 (E_RNA) where: Base-Base interactions energy: -711.387 where: short stacking energy: -293.740 Base-Backbone interact. energy: -2.252 local terms energy: -300.948739 where: bonds (distance) C4'-P energy: -51.597 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -63.497 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -85.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1024.911402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.911402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.911402 (E_RNA) where: Base-Base interactions energy: -717.949 where: short stacking energy: -292.516 Base-Backbone interact. energy: -1.529 local terms energy: -305.433931 where: bonds (distance) C4'-P energy: -53.664 bonds (distance) P-C4' energy: -55.010 flat angles C4'-P-C4' energy: -67.700 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -88.929 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: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -994.990245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.990245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.990245 (E_RNA) where: Base-Base interactions energy: -699.766 where: short stacking energy: -298.794 Base-Backbone interact. energy: -0.497 local terms energy: -294.727348 where: bonds (distance) C4'-P energy: -58.052 bonds (distance) P-C4' energy: -46.805 flat angles C4'-P-C4' energy: -64.599 flat angles P-C4'-P energy: -39.719 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -887.708778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.708778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.708778 (E_RNA) where: Base-Base interactions energy: -612.390 where: short stacking energy: -249.014 Base-Backbone interact. energy: -1.262 local terms energy: -274.056488 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -55.388 flat angles C4'-P-C4' energy: -53.872 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: -67.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -869.483040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.483040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.483040 (E_RNA) where: Base-Base interactions energy: -609.974 where: short stacking energy: -239.553 Base-Backbone interact. energy: -0.679 local terms energy: -258.830529 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -53.390 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -58.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -812.593134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.593134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.593134 (E_RNA) where: Base-Base interactions energy: -559.354 where: short stacking energy: -251.372 Base-Backbone interact. energy: -0.696 local terms energy: -252.543181 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -47.803 flat angles C4'-P-C4' energy: -53.057 flat angles P-C4'-P energy: -35.233 tors. eta vs tors. theta energy: -67.312 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: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -651.424650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.424650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.424650 (E_RNA) where: Base-Base interactions energy: -403.487 where: short stacking energy: -194.073 Base-Backbone interact. energy: -0.667 local terms energy: -247.270844 where: bonds (distance) C4'-P energy: -48.159 bonds (distance) P-C4' energy: -50.401 flat angles C4'-P-C4' energy: -58.516 flat angles P-C4'-P energy: -36.172 tors. eta vs tors. theta energy: -54.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -495.868915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.868915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.868915 (E_RNA) where: Base-Base interactions energy: -303.846 where: short stacking energy: -145.264 Base-Backbone interact. energy: -0.560 local terms energy: -191.462742 where: bonds (distance) C4'-P energy: -52.886 bonds (distance) P-C4' energy: -43.280 flat angles C4'-P-C4' energy: -45.365 flat angles P-C4'-P energy: -33.574 tors. eta vs tors. theta energy: -16.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -454.256535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.256535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.256535 (E_RNA) where: Base-Base interactions energy: -269.519 where: short stacking energy: -125.060 Base-Backbone interact. energy: -1.529 local terms energy: -183.208906 where: bonds (distance) C4'-P energy: -37.607 bonds (distance) P-C4' energy: -46.603 flat angles C4'-P-C4' energy: -55.034 flat angles P-C4'-P energy: -37.112 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -461.147450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.147450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.147450 (E_RNA) where: Base-Base interactions energy: -287.460 where: short stacking energy: -129.834 Base-Backbone interact. energy: -0.797 local terms energy: -172.890458 where: bonds (distance) C4'-P energy: -39.577 bonds (distance) P-C4' energy: -51.560 flat angles C4'-P-C4' energy: -43.731 flat angles P-C4'-P energy: -23.408 tors. eta vs tors. theta energy: -14.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1018.872683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.872683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.872683 (E_RNA) where: Base-Base interactions energy: -713.245 where: short stacking energy: -299.709 Base-Backbone interact. energy: 1.244 local terms energy: -306.871853 where: bonds (distance) C4'-P energy: -45.721 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -63.213 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: -87.543 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: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1033.779115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.779115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.779115 (E_RNA) where: Base-Base interactions energy: -737.656 where: short stacking energy: -311.545 Base-Backbone interact. energy: 0.875 local terms energy: -296.997883 where: bonds (distance) C4'-P energy: -55.009 bonds (distance) P-C4' energy: -58.828 flat angles C4'-P-C4' energy: -59.049 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -83.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -971.668461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.668461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.668461 (E_RNA) where: Base-Base interactions energy: -672.043 where: short stacking energy: -289.237 Base-Backbone interact. energy: -0.746 local terms energy: -298.879804 where: bonds (distance) C4'-P energy: -61.644 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -75.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -879.392103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.392103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.392103 (E_RNA) where: Base-Base interactions energy: -607.354 where: short stacking energy: -268.678 Base-Backbone interact. energy: -1.262 local terms energy: -270.776370 where: bonds (distance) C4'-P energy: -50.481 bonds (distance) P-C4' energy: -50.046 flat angles C4'-P-C4' energy: -60.844 flat angles P-C4'-P energy: -37.204 tors. eta vs tors. theta energy: -72.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -865.195269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.195269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.195269 (E_RNA) where: Base-Base interactions energy: -606.084 where: short stacking energy: -257.201 Base-Backbone interact. energy: 1.463 local terms energy: -260.574137 where: bonds (distance) C4'-P energy: -53.998 bonds (distance) P-C4' energy: -51.169 flat angles C4'-P-C4' energy: -56.295 flat angles P-C4'-P energy: -33.471 tors. eta vs tors. theta energy: -65.640 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: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -804.529024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.529024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.529024 (E_RNA) where: Base-Base interactions energy: -542.480 where: short stacking energy: -247.958 Base-Backbone interact. energy: -1.232 local terms energy: -260.817347 where: bonds (distance) C4'-P energy: -38.509 bonds (distance) P-C4' energy: -54.391 flat angles C4'-P-C4' energy: -58.284 flat angles P-C4'-P energy: -40.817 tors. eta vs tors. theta energy: -68.816 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: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -649.972077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.972077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.972077 (E_RNA) where: Base-Base interactions energy: -411.531 where: short stacking energy: -195.533 Base-Backbone interact. energy: 0.911 local terms energy: -239.352395 where: bonds (distance) C4'-P energy: -47.338 bonds (distance) P-C4' energy: -56.766 flat angles C4'-P-C4' energy: -52.574 flat angles P-C4'-P energy: -37.586 tors. eta vs tors. theta energy: -45.089 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: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -469.002402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.002402 (E_RNA) where: Base-Base interactions energy: -286.420 where: short stacking energy: -138.355 Base-Backbone interact. energy: -0.200 local terms energy: -182.382137 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -42.024 flat angles C4'-P-C4' energy: -45.380 flat angles P-C4'-P energy: -29.570 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -498.460396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.460396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.460396 (E_RNA) where: Base-Base interactions energy: -297.044 where: short stacking energy: -137.687 Base-Backbone interact. energy: -0.121 local terms energy: -201.294900 where: bonds (distance) C4'-P energy: -47.913 bonds (distance) P-C4' energy: -49.430 flat angles C4'-P-C4' energy: -52.201 flat angles P-C4'-P energy: -34.693 tors. eta vs tors. theta energy: -17.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -425.010780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.010780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.010780 (E_RNA) where: Base-Base interactions energy: -234.109 where: short stacking energy: -125.269 Base-Backbone interact. energy: 1.741 local terms energy: -192.642115 where: bonds (distance) C4'-P energy: -39.073 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -46.553 flat angles P-C4'-P energy: -35.507 tors. eta vs tors. theta energy: -13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -995.055667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.055667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.055667 (E_RNA) where: Base-Base interactions energy: -688.717 where: short stacking energy: -281.637 Base-Backbone interact. energy: -0.678 local terms energy: -305.660988 where: bonds (distance) C4'-P energy: -51.764 bonds (distance) P-C4' energy: -62.210 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -79.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1027.452321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.452321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.452321 (E_RNA) where: Base-Base interactions energy: -715.311 where: short stacking energy: -303.740 Base-Backbone interact. energy: -1.641 local terms energy: -310.500314 where: bonds (distance) C4'-P energy: -56.005 bonds (distance) P-C4' energy: -55.504 flat angles C4'-P-C4' energy: -67.472 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -87.419 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: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -983.682646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.682646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.682646 (E_RNA) where: Base-Base interactions energy: -692.568 where: short stacking energy: -295.063 Base-Backbone interact. energy: -0.218 local terms energy: -290.896064 where: bonds (distance) C4'-P energy: -49.237 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -58.867 flat angles P-C4'-P energy: -43.084 tors. eta vs tors. theta energy: -84.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -889.980279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.980279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.980279 (E_RNA) where: Base-Base interactions energy: -608.587 where: short stacking energy: -235.904 Base-Backbone interact. energy: -0.399 local terms energy: -280.993835 where: bonds (distance) C4'-P energy: -54.797 bonds (distance) P-C4' energy: -60.498 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -40.903 tors. eta vs tors. theta energy: -64.902 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: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -866.033909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.033909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.033909 (E_RNA) where: Base-Base interactions energy: -600.746 where: short stacking energy: -258.041 Base-Backbone interact. energy: -1.223 local terms energy: -264.064564 where: bonds (distance) C4'-P energy: -58.301 bonds (distance) P-C4' energy: -54.197 flat angles C4'-P-C4' energy: -57.067 flat angles P-C4'-P energy: -28.646 tors. eta vs tors. theta energy: -65.854 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: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -846.871343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.871343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.871343 (E_RNA) where: Base-Base interactions energy: -584.732 where: short stacking energy: -240.294 Base-Backbone interact. energy: -2.112 local terms energy: -260.028027 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -47.389 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -31.345 tors. eta vs tors. theta energy: -65.176 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: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -675.424121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.424121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.424121 (E_RNA) where: Base-Base interactions energy: -438.390 where: short stacking energy: -195.244 Base-Backbone interact. energy: 1.770 local terms energy: -238.804069 where: bonds (distance) C4'-P energy: -59.875 bonds (distance) P-C4' energy: -52.869 flat angles C4'-P-C4' energy: -53.202 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -35.918 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: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -492.162425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.162425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.162425 (E_RNA) where: Base-Base interactions energy: -280.554 where: short stacking energy: -132.203 Base-Backbone interact. energy: -1.596 local terms energy: -210.012945 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -55.103 flat angles C4'-P-C4' energy: -42.311 flat angles P-C4'-P energy: -32.737 tors. eta vs tors. theta energy: -24.546 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: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -464.032224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.032224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.032224 (E_RNA) where: Base-Base interactions energy: -273.591 where: short stacking energy: -139.688 Base-Backbone interact. energy: 1.802 local terms energy: -192.243920 where: bonds (distance) C4'-P energy: -41.316 bonds (distance) P-C4' energy: -50.779 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -28.776 tors. eta vs tors. theta energy: -22.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -452.879133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.879133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.879133 (E_RNA) where: Base-Base interactions energy: -279.606 where: short stacking energy: -123.137 Base-Backbone interact. energy: -0.322 local terms energy: -172.951041 where: bonds (distance) C4'-P energy: -26.704 bonds (distance) P-C4' energy: -48.780 flat angles C4'-P-C4' energy: -59.332 flat angles P-C4'-P energy: -13.967 tors. eta vs tors. theta energy: -24.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1049.826080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.826080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.826080 (E_RNA) where: Base-Base interactions energy: -752.864 where: short stacking energy: -308.357 Base-Backbone interact. energy: 0.326 local terms energy: -297.287924 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -57.244 flat angles C4'-P-C4' energy: -62.995 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: -84.900 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: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -994.845401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.845401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.845401 (E_RNA) where: Base-Base interactions energy: -698.052 where: short stacking energy: -302.836 Base-Backbone interact. energy: -0.909 local terms energy: -295.884263 where: bonds (distance) C4'-P energy: -53.427 bonds (distance) P-C4' energy: -49.383 flat angles C4'-P-C4' energy: -66.623 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: -85.972 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: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -932.903268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.903268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.903268 (E_RNA) where: Base-Base interactions energy: -642.119 where: short stacking energy: -271.991 Base-Backbone interact. energy: -2.675 local terms energy: -288.109689 where: bonds (distance) C4'-P energy: -46.427 bonds (distance) P-C4' energy: -55.037 flat angles C4'-P-C4' energy: -64.194 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -83.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -963.004667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.004667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.004667 (E_RNA) where: Base-Base interactions energy: -671.267 where: short stacking energy: -289.951 Base-Backbone interact. energy: -0.426 local terms energy: -291.311307 where: bonds (distance) C4'-P energy: -44.868 bonds (distance) P-C4' energy: -53.673 flat angles C4'-P-C4' energy: -65.877 flat angles P-C4'-P energy: -39.697 tors. eta vs tors. theta energy: -87.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -852.789017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.789017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.789017 (E_RNA) where: Base-Base interactions energy: -589.946 where: short stacking energy: -258.625 Base-Backbone interact. energy: 0.111 local terms energy: -262.954657 where: bonds (distance) C4'-P energy: -52.718 bonds (distance) P-C4' energy: -49.975 flat angles C4'-P-C4' energy: -57.777 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -59.387 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: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -822.303954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.303954 (E_RNA) where: Base-Base interactions energy: -571.944 where: short stacking energy: -246.808 Base-Backbone interact. energy: 6.730 local terms energy: -257.090108 where: bonds (distance) C4'-P energy: -47.221 bonds (distance) P-C4' energy: -49.176 flat angles C4'-P-C4' energy: -54.523 flat angles P-C4'-P energy: -39.421 tors. eta vs tors. theta energy: -66.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -636.258025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.258025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.258025 (E_RNA) where: Base-Base interactions energy: -391.149 where: short stacking energy: -184.302 Base-Backbone interact. energy: -2.034 local terms energy: -243.074951 where: bonds (distance) C4'-P energy: -50.891 bonds (distance) P-C4' energy: -62.808 flat angles C4'-P-C4' energy: -54.125 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -33.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -470.959153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.959153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.959153 (E_RNA) where: Base-Base interactions energy: -281.786 where: short stacking energy: -149.851 Base-Backbone interact. energy: 1.575 local terms energy: -190.747678 where: bonds (distance) C4'-P energy: -52.852 bonds (distance) P-C4' energy: -52.498 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -26.430 tors. eta vs tors. theta energy: -9.607 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: 240 Temperature: 1.300000 Total energy: -515.078223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.078223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.078223 (E_RNA) where: Base-Base interactions energy: -324.890 where: short stacking energy: -149.599 Base-Backbone interact. energy: -1.022 local terms energy: -189.166996 where: bonds (distance) C4'-P energy: -50.542 bonds (distance) P-C4' energy: -43.100 flat angles C4'-P-C4' energy: -48.642 flat angles P-C4'-P energy: -23.733 tors. eta vs tors. theta energy: -23.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -439.258629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.258629 (E_RNA) where: Base-Base interactions energy: -250.023 where: short stacking energy: -113.395 Base-Backbone interact. energy: 0.663 local terms energy: -189.898582 where: bonds (distance) C4'-P energy: -44.374 bonds (distance) P-C4' energy: -55.268 flat angles C4'-P-C4' energy: -54.565 flat angles P-C4'-P energy: -25.393 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1043.337789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.337789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.337789 (E_RNA) where: Base-Base interactions energy: -730.709 where: short stacking energy: -286.407 Base-Backbone interact. energy: -0.928 local terms energy: -311.701152 where: bonds (distance) C4'-P energy: -60.258 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -78.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -949.559902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.559902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.559902 (E_RNA) where: Base-Base interactions energy: -664.798 where: short stacking energy: -267.831 Base-Backbone interact. energy: -1.683 local terms energy: -283.078755 where: bonds (distance) C4'-P energy: -48.761 bonds (distance) P-C4' energy: -58.021 flat angles C4'-P-C4' energy: -60.893 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -77.085 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: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -964.923155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.923155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.923155 (E_RNA) where: Base-Base interactions energy: -680.398 where: short stacking energy: -281.520 Base-Backbone interact. energy: -1.276 local terms energy: -283.249415 where: bonds (distance) C4'-P energy: -48.765 bonds (distance) P-C4' energy: -49.035 flat angles C4'-P-C4' energy: -62.195 flat angles P-C4'-P energy: -43.027 tors. eta vs tors. theta energy: -80.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -980.313234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.313234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.313234 (E_RNA) where: Base-Base interactions energy: -678.591 where: short stacking energy: -295.588 Base-Backbone interact. energy: 0.406 local terms energy: -302.128296 where: bonds (distance) C4'-P energy: -56.986 bonds (distance) P-C4' energy: -54.615 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -87.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -844.370990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.370990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.370990 (E_RNA) where: Base-Base interactions energy: -568.454 where: short stacking energy: -241.044 Base-Backbone interact. energy: -1.614 local terms energy: -274.303554 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -57.026 flat angles C4'-P-C4' energy: -54.805 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -65.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -775.197299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.197299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.197299 (E_RNA) where: Base-Base interactions energy: -517.700 where: short stacking energy: -207.619 Base-Backbone interact. energy: 0.142 local terms energy: -257.639934 where: bonds (distance) C4'-P energy: -47.671 bonds (distance) P-C4' energy: -50.340 flat angles C4'-P-C4' energy: -60.301 flat angles P-C4'-P energy: -38.720 tors. eta vs tors. theta energy: -60.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -635.777244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.777244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.777244 (E_RNA) where: Base-Base interactions energy: -422.428 where: short stacking energy: -180.455 Base-Backbone interact. energy: -2.704 local terms energy: -210.645571 where: bonds (distance) C4'-P energy: -44.302 bonds (distance) P-C4' energy: -52.054 flat angles C4'-P-C4' energy: -48.829 flat angles P-C4'-P energy: -33.382 tors. eta vs tors. theta energy: -32.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -535.676492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.676492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.676492 (E_RNA) where: Base-Base interactions energy: -351.306 where: short stacking energy: -168.730 Base-Backbone interact. energy: -0.884 local terms energy: -183.486403 where: bonds (distance) C4'-P energy: -41.481 bonds (distance) P-C4' energy: -45.548 flat angles C4'-P-C4' energy: -47.482 flat angles P-C4'-P energy: -22.700 tors. eta vs tors. theta energy: -26.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -486.558061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.558061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.558061 (E_RNA) where: Base-Base interactions energy: -303.953 where: short stacking energy: -128.558 Base-Backbone interact. energy: 3.094 local terms energy: -185.699414 where: bonds (distance) C4'-P energy: -44.207 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -49.707 flat angles P-C4'-P energy: -21.844 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -387.244046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.244046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.244046 (E_RNA) where: Base-Base interactions energy: -232.336 where: short stacking energy: -105.791 Base-Backbone interact. energy: -1.211 local terms energy: -153.697183 where: bonds (distance) C4'-P energy: -41.616 bonds (distance) P-C4' energy: -47.535 flat angles C4'-P-C4' energy: -45.800 flat angles P-C4'-P energy: -20.000 tors. eta vs tors. theta energy: 1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1037.581361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.581361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.581361 (E_RNA) where: Base-Base interactions energy: -735.590 where: short stacking energy: -291.780 Base-Backbone interact. energy: 0.855 local terms energy: -302.846818 where: bonds (distance) C4'-P energy: -62.119 bonds (distance) P-C4' energy: -52.704 flat angles C4'-P-C4' energy: -65.118 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -82.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -957.506382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.506382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.506382 (E_RNA) where: Base-Base interactions energy: -664.863 where: short stacking energy: -289.730 Base-Backbone interact. energy: -1.253 local terms energy: -291.389894 where: bonds (distance) C4'-P energy: -52.777 bonds (distance) P-C4' energy: -58.307 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -34.218 tors. eta vs tors. theta energy: -80.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -987.552074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.552074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.552074 (E_RNA) where: Base-Base interactions energy: -678.642 where: short stacking energy: -307.711 Base-Backbone interact. energy: -1.017 local terms energy: -307.893158 where: bonds (distance) C4'-P energy: -56.432 bonds (distance) P-C4' energy: -52.976 flat angles C4'-P-C4' energy: -66.072 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -88.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -934.333937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.333937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.333937 (E_RNA) where: Base-Base interactions energy: -642.894 where: short stacking energy: -273.161 Base-Backbone interact. energy: -0.528 local terms energy: -290.911709 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -63.473 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -80.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -850.893706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.893706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.893706 (E_RNA) where: Base-Base interactions energy: -576.148 where: short stacking energy: -250.786 Base-Backbone interact. energy: -3.302 local terms energy: -271.443503 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -48.477 flat angles C4'-P-C4' energy: -54.544 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -67.755 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: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -803.895049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.895049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.895049 (E_RNA) where: Base-Base interactions energy: -557.394 where: short stacking energy: -247.420 Base-Backbone interact. energy: 1.156 local terms energy: -247.656814 where: bonds (distance) C4'-P energy: -46.617 bonds (distance) P-C4' energy: -57.831 flat angles C4'-P-C4' energy: -46.530 flat angles P-C4'-P energy: -37.941 tors. eta vs tors. theta energy: -58.738 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: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -678.238737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.238737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.238737 (E_RNA) where: Base-Base interactions energy: -425.929 where: short stacking energy: -197.389 Base-Backbone interact. energy: -2.733 local terms energy: -249.576665 where: bonds (distance) C4'-P energy: -45.471 bonds (distance) P-C4' energy: -57.037 flat angles C4'-P-C4' energy: -54.120 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -48.693 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: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -549.393507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.393507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.393507 (E_RNA) where: Base-Base interactions energy: -333.864 where: short stacking energy: -146.495 Base-Backbone interact. energy: 2.131 local terms energy: -217.660509 where: bonds (distance) C4'-P energy: -50.185 bonds (distance) P-C4' energy: -52.532 flat angles C4'-P-C4' energy: -53.087 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -22.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -542.968449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.968449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.968449 (E_RNA) where: Base-Base interactions energy: -337.105 where: short stacking energy: -157.689 Base-Backbone interact. energy: -1.462 local terms energy: -204.401523 where: bonds (distance) C4'-P energy: -42.636 bonds (distance) P-C4' energy: -53.972 flat angles C4'-P-C4' energy: -46.118 flat angles P-C4'-P energy: -29.462 tors. eta vs tors. theta energy: -32.214 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: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -393.098002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.098002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.098002 (E_RNA) where: Base-Base interactions energy: -209.445 where: short stacking energy: -113.400 Base-Backbone interact. energy: -0.970 local terms energy: -182.683668 where: bonds (distance) C4'-P energy: -46.407 bonds (distance) P-C4' energy: -55.850 flat angles C4'-P-C4' energy: -44.032 flat angles P-C4'-P energy: -33.368 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: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1057.361092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.361092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.361092 (E_RNA) where: Base-Base interactions energy: -742.187 where: short stacking energy: -317.098 Base-Backbone interact. energy: 0.786 local terms energy: -315.960106 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -59.596 flat angles C4'-P-C4' energy: -68.554 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -84.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -990.147579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.147579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.147579 (E_RNA) where: Base-Base interactions energy: -693.561 where: short stacking energy: -297.556 Base-Backbone interact. energy: -1.862 local terms energy: -294.725098 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -51.783 flat angles C4'-P-C4' energy: -60.782 flat angles P-C4'-P energy: -41.373 tors. eta vs tors. theta energy: -86.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -934.074311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.074311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.074311 (E_RNA) where: Base-Base interactions energy: -665.124 where: short stacking energy: -277.382 Base-Backbone interact. energy: -1.506 local terms energy: -267.444625 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -42.887 flat angles C4'-P-C4' energy: -53.053 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -74.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -952.543796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.543796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.543796 (E_RNA) where: Base-Base interactions energy: -668.787 where: short stacking energy: -273.843 Base-Backbone interact. energy: 2.785 local terms energy: -286.541943 where: bonds (distance) C4'-P energy: -41.336 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -65.115 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -74.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -858.151211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.151211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.151211 (E_RNA) where: Base-Base interactions energy: -596.732 where: short stacking energy: -264.255 Base-Backbone interact. energy: -0.455 local terms energy: -260.963890 where: bonds (distance) C4'-P energy: -43.764 bonds (distance) P-C4' energy: -45.999 flat angles C4'-P-C4' energy: -62.617 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: -69.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -789.657165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.657165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.657165 (E_RNA) where: Base-Base interactions energy: -524.670 where: short stacking energy: -235.311 Base-Backbone interact. energy: -2.467 local terms energy: -262.520038 where: bonds (distance) C4'-P energy: -51.217 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -50.727 flat angles P-C4'-P energy: -40.296 tors. eta vs tors. theta energy: -62.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -649.223212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.223212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.223212 (E_RNA) where: Base-Base interactions energy: -415.680 where: short stacking energy: -214.342 Base-Backbone interact. energy: -0.994 local terms energy: -232.549912 where: bonds (distance) C4'-P energy: -50.149 bonds (distance) P-C4' energy: -44.710 flat angles C4'-P-C4' energy: -52.220 flat angles P-C4'-P energy: -36.071 tors. eta vs tors. theta energy: -49.400 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: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -570.117676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.117676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.117676 (E_RNA) where: Base-Base interactions energy: -357.570 where: short stacking energy: -159.822 Base-Backbone interact. energy: -0.343 local terms energy: -212.204126 where: bonds (distance) C4'-P energy: -49.150 bonds (distance) P-C4' energy: -54.459 flat angles C4'-P-C4' energy: -48.924 flat angles P-C4'-P energy: -22.403 tors. eta vs tors. theta energy: -37.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -522.615821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.615821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.615821 (E_RNA) where: Base-Base interactions energy: -334.581 where: short stacking energy: -156.539 Base-Backbone interact. energy: -0.349 local terms energy: -187.686254 where: bonds (distance) C4'-P energy: -42.048 bonds (distance) P-C4' energy: -38.129 flat angles C4'-P-C4' energy: -42.383 flat angles P-C4'-P energy: -28.897 tors. eta vs tors. theta energy: -36.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -386.556549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.556549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.556549 (E_RNA) where: Base-Base interactions energy: -223.080 where: short stacking energy: -101.432 Base-Backbone interact. energy: -0.568 local terms energy: -162.909127 where: bonds (distance) C4'-P energy: -44.278 bonds (distance) P-C4' energy: -39.662 flat angles C4'-P-C4' energy: -37.079 flat angles P-C4'-P energy: -31.647 tors. eta vs tors. theta energy: -10.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1051.253282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.253282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.253282 (E_RNA) where: Base-Base interactions energy: -743.870 where: short stacking energy: -301.793 Base-Backbone interact. energy: -1.501 local terms energy: -305.882085 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -87.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -999.517712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.517712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.517712 (E_RNA) where: Base-Base interactions energy: -680.835 where: short stacking energy: -301.448 Base-Backbone interact. energy: 2.836 local terms energy: -321.518839 where: bonds (distance) C4'-P energy: -58.761 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -64.971 flat angles P-C4'-P energy: -46.519 tors. eta vs tors. theta energy: -87.459 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: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -957.372395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.372395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.372395 (E_RNA) where: Base-Base interactions energy: -662.912 where: short stacking energy: -286.815 Base-Backbone interact. energy: -0.486 local terms energy: -293.973974 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -54.721 flat angles C4'-P-C4' energy: -59.482 flat angles P-C4'-P energy: -42.855 tors. eta vs tors. theta energy: -78.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -904.322027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.322027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.322027 (E_RNA) where: Base-Base interactions energy: -640.093 where: short stacking energy: -275.954 Base-Backbone interact. energy: 2.378 local terms energy: -266.606153 where: bonds (distance) C4'-P energy: -50.331 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -53.362 flat angles P-C4'-P energy: -31.001 tors. eta vs tors. theta energy: -72.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -841.329441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.329441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.329441 (E_RNA) where: Base-Base interactions energy: -579.594 where: short stacking energy: -235.969 Base-Backbone interact. energy: -1.558 local terms energy: -260.177875 where: bonds (distance) C4'-P energy: -46.531 bonds (distance) P-C4' energy: -45.551 flat angles C4'-P-C4' energy: -60.100 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -66.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -737.515102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.515102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.515102 (E_RNA) where: Base-Base interactions energy: -490.370 where: short stacking energy: -224.761 Base-Backbone interact. energy: 0.662 local terms energy: -247.807077 where: bonds (distance) C4'-P energy: -42.714 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -53.719 flat angles P-C4'-P energy: -36.860 tors. eta vs tors. theta energy: -54.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -638.267546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.267546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.267546 (E_RNA) where: Base-Base interactions energy: -410.589 where: short stacking energy: -185.492 Base-Backbone interact. energy: 1.426 local terms energy: -229.104731 where: bonds (distance) C4'-P energy: -56.748 bonds (distance) P-C4' energy: -51.242 flat angles C4'-P-C4' energy: -47.984 flat angles P-C4'-P energy: -34.158 tors. eta vs tors. theta energy: -38.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -567.571693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.571693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.571693 (E_RNA) where: Base-Base interactions energy: -355.018 where: short stacking energy: -166.175 Base-Backbone interact. energy: 2.360 local terms energy: -214.914597 where: bonds (distance) C4'-P energy: -34.791 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -53.879 flat angles P-C4'-P energy: -31.001 tors. eta vs tors. theta energy: -35.807 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: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -505.134323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.134323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.134323 (E_RNA) where: Base-Base interactions energy: -315.107 where: short stacking energy: -149.923 Base-Backbone interact. energy: -0.722 local terms energy: -189.305028 where: bonds (distance) C4'-P energy: -30.167 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -58.157 flat angles P-C4'-P energy: -27.175 tors. eta vs tors. theta energy: -13.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -409.632285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.632285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.632285 (E_RNA) where: Base-Base interactions energy: -245.690 where: short stacking energy: -118.344 Base-Backbone interact. energy: 0.145 local terms energy: -164.087086 where: bonds (distance) C4'-P energy: -48.338 bonds (distance) P-C4' energy: -57.690 flat angles C4'-P-C4' energy: -38.789 flat angles P-C4'-P energy: -22.564 tors. eta vs tors. theta energy: 3.294 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: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1049.893434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.893434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.893434 (E_RNA) where: Base-Base interactions energy: -741.538 where: short stacking energy: -304.315 Base-Backbone interact. energy: -2.395 local terms energy: -305.960900 where: bonds (distance) C4'-P energy: -54.548 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -64.793 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: -84.673 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: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -994.281821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.281821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.281821 (E_RNA) where: Base-Base interactions energy: -695.401 where: short stacking energy: -300.959 Base-Backbone interact. energy: -1.326 local terms energy: -297.554296 where: bonds (distance) C4'-P energy: -58.056 bonds (distance) P-C4' energy: -54.337 flat angles C4'-P-C4' energy: -60.910 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -78.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -968.514502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.514502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.514502 (E_RNA) where: Base-Base interactions energy: -666.284 where: short stacking energy: -287.750 Base-Backbone interact. energy: 0.219 local terms energy: -302.448706 where: bonds (distance) C4'-P energy: -58.687 bonds (distance) P-C4' energy: -52.721 flat angles C4'-P-C4' energy: -73.371 flat angles P-C4'-P energy: -36.396 tors. eta vs tors. theta energy: -81.274 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: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -901.669686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.669686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.669686 (E_RNA) where: Base-Base interactions energy: -634.218 where: short stacking energy: -266.618 Base-Backbone interact. energy: 1.931 local terms energy: -269.382273 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -50.687 flat angles C4'-P-C4' energy: -57.743 flat angles P-C4'-P energy: -29.795 tors. eta vs tors. theta energy: -74.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -843.114144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.114144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.114144 (E_RNA) where: Base-Base interactions energy: -559.874 where: short stacking energy: -239.746 Base-Backbone interact. energy: -2.562 local terms energy: -280.678124 where: bonds (distance) C4'-P energy: -54.408 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -33.377 tors. eta vs tors. theta energy: -70.280 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: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -723.497154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.497154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.497154 (E_RNA) where: Base-Base interactions energy: -477.512 where: short stacking energy: -224.114 Base-Backbone interact. energy: 1.137 local terms energy: -247.121801 where: bonds (distance) C4'-P energy: -42.099 bonds (distance) P-C4' energy: -47.816 flat angles C4'-P-C4' energy: -59.006 flat angles P-C4'-P energy: -37.393 tors. eta vs tors. theta energy: -60.807 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: 245 Temperature: 1.200000 Total energy: -622.359934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.359934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.359934 (E_RNA) where: Base-Base interactions energy: -409.862 where: short stacking energy: -164.391 Base-Backbone interact. energy: -2.263 local terms energy: -210.234937 where: bonds (distance) C4'-P energy: -45.478 bonds (distance) P-C4' energy: -57.621 flat angles C4'-P-C4' energy: -43.089 flat angles P-C4'-P energy: -23.330 tors. eta vs tors. theta energy: -40.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -591.224214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.224214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.224214 (E_RNA) where: Base-Base interactions energy: -367.388 where: short stacking energy: -180.398 Base-Backbone interact. energy: -1.692 local terms energy: -222.144809 where: bonds (distance) C4'-P energy: -49.575 bonds (distance) P-C4' energy: -48.533 flat angles C4'-P-C4' energy: -47.351 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -37.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -512.150377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.150377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.150377 (E_RNA) where: Base-Base interactions energy: -310.039 where: short stacking energy: -160.310 Base-Backbone interact. energy: -1.112 local terms energy: -200.999587 where: bonds (distance) C4'-P energy: -40.363 bonds (distance) P-C4' energy: -49.529 flat angles C4'-P-C4' energy: -45.823 flat angles P-C4'-P energy: -29.539 tors. eta vs tors. theta energy: -35.745 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: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -410.340967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.340967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.340967 (E_RNA) where: Base-Base interactions energy: -231.440 where: short stacking energy: -119.769 Base-Backbone interact. energy: -1.292 local terms energy: -177.608270 where: bonds (distance) C4'-P energy: -48.210 bonds (distance) P-C4' energy: -51.367 flat angles C4'-P-C4' energy: -33.066 flat angles P-C4'-P energy: -25.334 tors. eta vs tors. theta energy: -19.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1046.257666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.257666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.257666 (E_RNA) where: Base-Base interactions energy: -741.085 where: short stacking energy: -306.125 Base-Backbone interact. energy: -0.349 local terms energy: -304.822996 where: bonds (distance) C4'-P energy: -59.325 bonds (distance) P-C4' energy: -54.246 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -89.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1010.203454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.203454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.203454 (E_RNA) where: Base-Base interactions energy: -712.801 where: short stacking energy: -300.039 Base-Backbone interact. energy: -0.915 local terms energy: -296.487605 where: bonds (distance) C4'-P energy: -49.524 bonds (distance) P-C4' energy: -60.554 flat angles C4'-P-C4' energy: -60.636 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -82.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -965.130573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.130573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.130573 (E_RNA) where: Base-Base interactions energy: -665.066 where: short stacking energy: -279.295 Base-Backbone interact. energy: -0.669 local terms energy: -299.394840 where: bonds (distance) C4'-P energy: -54.091 bonds (distance) P-C4' energy: -54.587 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -39.191 tors. eta vs tors. theta energy: -85.194 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: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -895.541208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.541208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.541208 (E_RNA) where: Base-Base interactions energy: -637.973 where: short stacking energy: -256.256 Base-Backbone interact. energy: -0.974 local terms energy: -256.594758 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -52.074 flat angles C4'-P-C4' energy: -59.679 flat angles P-C4'-P energy: -31.821 tors. eta vs tors. theta energy: -65.907 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: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -837.645655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.645655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.645655 (E_RNA) where: Base-Base interactions energy: -589.529 where: short stacking energy: -241.141 Base-Backbone interact. energy: -1.792 local terms energy: -246.324705 where: bonds (distance) C4'-P energy: -43.916 bonds (distance) P-C4' energy: -48.306 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -37.850 tors. eta vs tors. theta energy: -54.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -753.920374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.920374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.920374 (E_RNA) where: Base-Base interactions energy: -506.550 where: short stacking energy: -230.414 Base-Backbone interact. energy: -2.278 local terms energy: -245.092849 where: bonds (distance) C4'-P energy: -53.223 bonds (distance) P-C4' energy: -51.071 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -31.098 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -636.745195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.745195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.745195 (E_RNA) where: Base-Base interactions energy: -409.810 where: short stacking energy: -198.965 Base-Backbone interact. energy: 1.314 local terms energy: -228.248872 where: bonds (distance) C4'-P energy: -43.740 bonds (distance) P-C4' energy: -49.195 flat angles C4'-P-C4' energy: -46.218 flat angles P-C4'-P energy: -37.738 tors. eta vs tors. theta energy: -51.358 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -674.676687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.676687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.676687 (E_RNA) where: Base-Base interactions energy: -435.812 where: short stacking energy: -191.057 Base-Backbone interact. energy: -1.032 local terms energy: -237.832298 where: bonds (distance) C4'-P energy: -51.693 bonds (distance) P-C4' energy: -58.398 flat angles C4'-P-C4' energy: -53.894 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -44.769 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: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -522.787512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.787512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.787512 (E_RNA) where: Base-Base interactions energy: -329.945 where: short stacking energy: -174.706 Base-Backbone interact. energy: 3.138 local terms energy: -195.980909 where: bonds (distance) C4'-P energy: -47.240 bonds (distance) P-C4' energy: -52.254 flat angles C4'-P-C4' energy: -30.919 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -33.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -390.326955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.326955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.326955 (E_RNA) where: Base-Base interactions energy: -212.353 where: short stacking energy: -108.001 Base-Backbone interact. energy: -2.096 local terms energy: -175.877218 where: bonds (distance) C4'-P energy: -41.094 bonds (distance) P-C4' energy: -49.710 flat angles C4'-P-C4' energy: -37.704 flat angles P-C4'-P energy: -28.663 tors. eta vs tors. theta energy: -18.706 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: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1057.244324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.244324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.244324 (E_RNA) where: Base-Base interactions energy: -747.146 where: short stacking energy: -311.143 Base-Backbone interact. energy: -3.779 local terms energy: -306.319457 where: bonds (distance) C4'-P energy: -48.771 bonds (distance) P-C4' energy: -55.280 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -92.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -994.621093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.621093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.621093 (E_RNA) where: Base-Base interactions energy: -693.452 where: short stacking energy: -291.851 Base-Backbone interact. energy: -1.328 local terms energy: -299.840795 where: bonds (distance) C4'-P energy: -54.818 bonds (distance) P-C4' energy: -52.911 flat angles C4'-P-C4' energy: -65.892 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -88.852 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: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -950.086544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.086544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.086544 (E_RNA) where: Base-Base interactions energy: -666.983 where: short stacking energy: -275.223 Base-Backbone interact. energy: -0.963 local terms energy: -282.141099 where: bonds (distance) C4'-P energy: -52.981 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -62.619 flat angles P-C4'-P energy: -36.955 tors. eta vs tors. theta energy: -70.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -873.310382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.310382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.310382 (E_RNA) where: Base-Base interactions energy: -603.355 where: short stacking energy: -233.078 Base-Backbone interact. energy: -1.484 local terms energy: -268.471991 where: bonds (distance) C4'-P energy: -58.174 bonds (distance) P-C4' energy: -49.876 flat angles C4'-P-C4' energy: -54.335 flat angles P-C4'-P energy: -41.051 tors. eta vs tors. theta energy: -65.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -872.792608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.792608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.792608 (E_RNA) where: Base-Base interactions energy: -614.969 where: short stacking energy: -256.247 Base-Backbone interact. energy: 4.227 local terms energy: -262.051117 where: bonds (distance) C4'-P energy: -62.553 bonds (distance) P-C4' energy: -50.089 flat angles C4'-P-C4' energy: -57.706 flat angles P-C4'-P energy: -26.056 tors. eta vs tors. theta energy: -65.648 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -753.414246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.414246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.414246 (E_RNA) where: Base-Base interactions energy: -505.643 where: short stacking energy: -227.348 Base-Backbone interact. energy: -1.514 local terms energy: -246.257483 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -50.619 flat angles C4'-P-C4' energy: -55.824 flat angles P-C4'-P energy: -26.404 tors. eta vs tors. theta energy: -50.755 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: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -634.813069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.813069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.813069 (E_RNA) where: Base-Base interactions energy: -408.298 where: short stacking energy: -189.817 Base-Backbone interact. energy: -0.915 local terms energy: -225.599782 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -29.616 tors. eta vs tors. theta energy: -36.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -688.822517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.822517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.822517 (E_RNA) where: Base-Base interactions energy: -454.785 where: short stacking energy: -195.008 Base-Backbone interact. energy: -0.081 local terms energy: -233.956950 where: bonds (distance) C4'-P energy: -36.470 bonds (distance) P-C4' energy: -55.037 flat angles C4'-P-C4' energy: -57.068 flat angles P-C4'-P energy: -36.015 tors. eta vs tors. theta energy: -49.367 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: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -483.603854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.603854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.603854 (E_RNA) where: Base-Base interactions energy: -295.225 where: short stacking energy: -146.064 Base-Backbone interact. energy: -0.596 local terms energy: -187.782803 where: bonds (distance) C4'-P energy: -46.010 bonds (distance) P-C4' energy: -41.796 flat angles C4'-P-C4' energy: -48.439 flat angles P-C4'-P energy: -31.958 tors. eta vs tors. theta energy: -19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -389.659975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.659975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.659975 (E_RNA) where: Base-Base interactions energy: -212.984 where: short stacking energy: -121.813 Base-Backbone interact. energy: 0.809 local terms energy: -177.484797 where: bonds (distance) C4'-P energy: -42.202 bonds (distance) P-C4' energy: -51.113 flat angles C4'-P-C4' energy: -40.736 flat angles P-C4'-P energy: -32.111 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1046.228172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.228172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.228172 (E_RNA) where: Base-Base interactions energy: -749.679 where: short stacking energy: -318.417 Base-Backbone interact. energy: 0.325 local terms energy: -296.874113 where: bonds (distance) C4'-P energy: -53.042 bonds (distance) P-C4' energy: -49.204 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -89.065 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1002.339359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.339359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.339359 (E_RNA) where: Base-Base interactions energy: -690.283 where: short stacking energy: -301.124 Base-Backbone interact. energy: -0.819 local terms energy: -311.237211 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -60.511 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -90.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -900.706694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.706694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.706694 (E_RNA) where: Base-Base interactions energy: -620.073 where: short stacking energy: -281.210 Base-Backbone interact. energy: -0.944 local terms energy: -279.690352 where: bonds (distance) C4'-P energy: -46.007 bonds (distance) P-C4' energy: -58.756 flat angles C4'-P-C4' energy: -56.840 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -77.639 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: 248 Temperature: 1.050000 Total energy: -926.615670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.615670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.615670 (E_RNA) where: Base-Base interactions energy: -641.440 where: short stacking energy: -252.246 Base-Backbone interact. energy: 0.204 local terms energy: -285.379102 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: -68.231 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: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -873.173895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.173895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.173895 (E_RNA) where: Base-Base interactions energy: -612.563 where: short stacking energy: -260.746 Base-Backbone interact. energy: -2.134 local terms energy: -258.476790 where: bonds (distance) C4'-P energy: -44.021 bonds (distance) P-C4' energy: -55.213 flat angles C4'-P-C4' energy: -54.349 flat angles P-C4'-P energy: -33.266 tors. eta vs tors. theta energy: -71.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -723.729152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.729152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.729152 (E_RNA) where: Base-Base interactions energy: -473.130 where: short stacking energy: -212.275 Base-Backbone interact. energy: 0.226 local terms energy: -250.825884 where: bonds (distance) C4'-P energy: -45.771 bonds (distance) P-C4' energy: -62.245 flat angles C4'-P-C4' energy: -52.741 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -54.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -749.991657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.991657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.991657 (E_RNA) where: Base-Base interactions energy: -482.069 where: short stacking energy: -219.483 Base-Backbone interact. energy: -0.678 local terms energy: -267.244114 where: bonds (distance) C4'-P energy: -56.268 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -31.391 tors. eta vs tors. theta energy: -63.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -579.211478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.211478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.211478 (E_RNA) where: Base-Base interactions energy: -361.888 where: short stacking energy: -152.712 Base-Backbone interact. energy: 1.688 local terms energy: -219.011356 where: bonds (distance) C4'-P energy: -48.109 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -43.596 flat angles P-C4'-P energy: -35.377 tors. eta vs tors. theta energy: -31.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -458.750834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.750834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.750834 (E_RNA) where: Base-Base interactions energy: -276.870 where: short stacking energy: -125.180 Base-Backbone interact. energy: -1.691 local terms energy: -180.189950 where: bonds (distance) C4'-P energy: -48.023 bonds (distance) P-C4' energy: -52.130 flat angles C4'-P-C4' energy: -48.080 flat angles P-C4'-P energy: -29.276 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -430.789278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.789278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.789278 (E_RNA) where: Base-Base interactions energy: -255.976 where: short stacking energy: -121.375 Base-Backbone interact. energy: 0.990 local terms energy: -175.803296 where: bonds (distance) C4'-P energy: -49.503 bonds (distance) P-C4' energy: -44.904 flat angles C4'-P-C4' energy: -53.462 flat angles P-C4'-P energy: -21.220 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1037.140377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.140377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.140377 (E_RNA) where: Base-Base interactions energy: -730.788 where: short stacking energy: -306.875 Base-Backbone interact. energy: -2.399 local terms energy: -303.952951 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -57.225 flat angles C4'-P-C4' energy: -67.403 flat angles P-C4'-P energy: -40.113 tors. eta vs tors. theta energy: -80.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -997.457540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.457540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.457540 (E_RNA) where: Base-Base interactions energy: -707.166 where: short stacking energy: -308.150 Base-Backbone interact. energy: -0.712 local terms energy: -289.579589 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -54.567 flat angles C4'-P-C4' energy: -57.408 flat angles P-C4'-P energy: -38.117 tors. eta vs tors. theta energy: -87.035 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: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -936.684887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.684887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.684887 (E_RNA) where: Base-Base interactions energy: -657.378 where: short stacking energy: -275.253 Base-Backbone interact. energy: 0.676 local terms energy: -279.982628 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -55.627 flat angles C4'-P-C4' energy: -59.866 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: -70.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -894.380235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.380235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.380235 (E_RNA) where: Base-Base interactions energy: -612.900 where: short stacking energy: -265.744 Base-Backbone interact. energy: -1.820 local terms energy: -279.660508 where: bonds (distance) C4'-P energy: -62.136 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -58.204 flat angles P-C4'-P energy: -41.362 tors. eta vs tors. theta energy: -58.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -901.365612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.365612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.365612 (E_RNA) where: Base-Base interactions energy: -638.033 where: short stacking energy: -275.638 Base-Backbone interact. energy: 0.238 local terms energy: -263.570599 where: bonds (distance) C4'-P energy: -36.296 bonds (distance) P-C4' energy: -49.477 flat angles C4'-P-C4' energy: -58.390 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -78.274 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: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -826.110543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.110543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.110543 (E_RNA) where: Base-Base interactions energy: -581.898 where: short stacking energy: -235.905 Base-Backbone interact. energy: -1.730 local terms energy: -242.481887 where: bonds (distance) C4'-P energy: -47.933 bonds (distance) P-C4' energy: -54.292 flat angles C4'-P-C4' energy: -48.030 flat angles P-C4'-P energy: -32.039 tors. eta vs tors. theta energy: -60.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -686.813156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.813156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.813156 (E_RNA) where: Base-Base interactions energy: -479.028 where: short stacking energy: -207.901 Base-Backbone interact. energy: -0.385 local terms energy: -207.400182 where: bonds (distance) C4'-P energy: -40.020 bonds (distance) P-C4' energy: -46.181 flat angles C4'-P-C4' energy: -52.292 flat angles P-C4'-P energy: -27.825 tors. eta vs tors. theta energy: -41.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -590.728023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.728023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.728023 (E_RNA) where: Base-Base interactions energy: -386.407 where: short stacking energy: -180.500 Base-Backbone interact. energy: 0.200 local terms energy: -204.520816 where: bonds (distance) C4'-P energy: -44.550 bonds (distance) P-C4' energy: -45.523 flat angles C4'-P-C4' energy: -44.355 flat angles P-C4'-P energy: -32.994 tors. eta vs tors. theta energy: -37.098 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: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -475.791013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.791013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.791013 (E_RNA) where: Base-Base interactions energy: -283.935 where: short stacking energy: -137.754 Base-Backbone interact. energy: -1.008 local terms energy: -190.848573 where: bonds (distance) C4'-P energy: -40.580 bonds (distance) P-C4' energy: -47.952 flat angles C4'-P-C4' energy: -53.636 flat angles P-C4'-P energy: -24.552 tors. eta vs tors. theta energy: -24.128 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: 249 Temperature: 1.350000 Total energy: -457.442956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.442956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.442956 (E_RNA) where: Base-Base interactions energy: -271.414 where: short stacking energy: -124.254 Base-Backbone interact. energy: 0.571 local terms energy: -186.599319 where: bonds (distance) C4'-P energy: -54.997 bonds (distance) P-C4' energy: -36.513 flat angles C4'-P-C4' energy: -47.665 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1046.464025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.464025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.464025 (E_RNA) where: Base-Base interactions energy: -736.372 where: short stacking energy: -300.222 Base-Backbone interact. energy: -0.037 local terms energy: -310.054521 where: bonds (distance) C4'-P energy: -60.943 bonds (distance) P-C4' energy: -64.729 flat angles C4'-P-C4' energy: -61.073 flat angles P-C4'-P energy: -39.283 tors. eta vs tors. theta energy: -84.026 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: 2, replica: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -994.946365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.946365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.946365 (E_RNA) where: Base-Base interactions energy: -705.424 where: short stacking energy: -279.312 Base-Backbone interact. energy: -0.641 local terms energy: -288.881136 where: bonds (distance) C4'-P energy: -48.952 bonds (distance) P-C4' energy: -55.868 flat angles C4'-P-C4' energy: -58.642 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -78.847 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: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -907.882383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.882383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.882383 (E_RNA) where: Base-Base interactions energy: -607.985 where: short stacking energy: -272.291 Base-Backbone interact. energy: -1.027 local terms energy: -298.870163 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -64.788 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -71.845 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: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -921.807891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.807891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.807891 (E_RNA) where: Base-Base interactions energy: -640.582 where: short stacking energy: -280.761 Base-Backbone interact. energy: -2.609 local terms energy: -278.616785 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -46.185 flat angles C4'-P-C4' energy: -62.410 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -78.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -875.120141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.120141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.120141 (E_RNA) where: Base-Base interactions energy: -608.678 where: short stacking energy: -252.095 Base-Backbone interact. energy: 1.211 local terms energy: -267.653069 where: bonds (distance) C4'-P energy: -49.843 bonds (distance) P-C4' energy: -58.308 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -31.934 tors. eta vs tors. theta energy: -67.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -796.432706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.432706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.432706 (E_RNA) where: Base-Base interactions energy: -535.326 where: short stacking energy: -240.896 Base-Backbone interact. energy: -0.836 local terms energy: -260.271199 where: bonds (distance) C4'-P energy: -57.307 bonds (distance) P-C4' energy: -51.011 flat angles C4'-P-C4' energy: -54.964 flat angles P-C4'-P energy: -30.250 tors. eta vs tors. theta energy: -66.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -693.935598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.935598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.935598 (E_RNA) where: Base-Base interactions energy: -451.129 where: short stacking energy: -209.230 Base-Backbone interact. energy: -0.882 local terms energy: -241.923873 where: bonds (distance) C4'-P energy: -45.686 bonds (distance) P-C4' energy: -48.721 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -45.745 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: 250 Temperature: 1.250000 Total energy: -575.563504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.563504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.563504 (E_RNA) where: Base-Base interactions energy: -347.120 where: short stacking energy: -180.788 Base-Backbone interact. energy: -0.523 local terms energy: -227.920517 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -48.067 flat angles P-C4'-P energy: -27.337 tors. eta vs tors. theta energy: -39.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -494.127903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.127903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.127903 (E_RNA) where: Base-Base interactions energy: -309.196 where: short stacking energy: -149.992 Base-Backbone interact. energy: 0.605 local terms energy: -185.536286 where: bonds (distance) C4'-P energy: -48.103 bonds (distance) P-C4' energy: -54.017 flat angles C4'-P-C4' energy: -51.384 flat angles P-C4'-P energy: -17.906 tors. eta vs tors. theta energy: -14.127 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: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -470.956298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.956298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.956298 (E_RNA) where: Base-Base interactions energy: -308.886 where: short stacking energy: -155.323 Base-Backbone interact. energy: 1.209 local terms energy: -163.279510 where: bonds (distance) C4'-P energy: -33.570 bonds (distance) P-C4' energy: -47.622 flat angles C4'-P-C4' energy: -48.647 flat angles P-C4'-P energy: -17.272 tors. eta vs tors. theta energy: -16.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1042.789833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.789833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.789833 (E_RNA) where: Base-Base interactions energy: -726.275 where: short stacking energy: -290.990 Base-Backbone interact. energy: -1.431 local terms energy: -315.083251 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -62.523 flat angles P-C4'-P energy: -53.669 tors. eta vs tors. theta energy: -79.836 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: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -993.566071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.566071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.566071 (E_RNA) where: Base-Base interactions energy: -701.350 where: short stacking energy: -299.456 Base-Backbone interact. energy: -1.729 local terms energy: -290.487537 where: bonds (distance) C4'-P energy: -52.825 bonds (distance) P-C4' energy: -56.325 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -31.504 tors. eta vs tors. theta energy: -86.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -917.900887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.900887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.900887 (E_RNA) where: Base-Base interactions energy: -623.935 where: short stacking energy: -278.873 Base-Backbone interact. energy: 0.881 local terms energy: -294.846478 where: bonds (distance) C4'-P energy: -55.637 bonds (distance) P-C4' energy: -54.705 flat angles C4'-P-C4' energy: -64.690 flat angles P-C4'-P energy: -51.094 tors. eta vs tors. theta energy: -68.719 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: 251 Temperature: 1.050000 Total energy: -930.205630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.205630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.205630 (E_RNA) where: Base-Base interactions energy: -662.453 where: short stacking energy: -278.278 Base-Backbone interact. energy: 4.728 local terms energy: -272.480308 where: bonds (distance) C4'-P energy: -49.280 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -59.746 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -80.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -905.239904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.239904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.239904 (E_RNA) where: Base-Base interactions energy: -644.855 where: short stacking energy: -271.429 Base-Backbone interact. energy: -2.030 local terms energy: -258.355552 where: bonds (distance) C4'-P energy: -61.439 bonds (distance) P-C4' energy: -39.820 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -36.196 tors. eta vs tors. theta energy: -69.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -754.899687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.899687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.899687 (E_RNA) where: Base-Base interactions energy: -516.507 where: short stacking energy: -216.868 Base-Backbone interact. energy: -1.050 local terms energy: -237.343314 where: bonds (distance) C4'-P energy: -43.282 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -55.328 flat angles P-C4'-P energy: -33.067 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: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -703.441200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.441200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.441200 (E_RNA) where: Base-Base interactions energy: -476.173 where: short stacking energy: -217.525 Base-Backbone interact. energy: -1.392 local terms energy: -225.876115 where: bonds (distance) C4'-P energy: -52.931 bonds (distance) P-C4' energy: -46.027 flat angles C4'-P-C4' energy: -42.171 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -45.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -534.298396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.298396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.298396 (E_RNA) where: Base-Base interactions energy: -329.563 where: short stacking energy: -140.513 Base-Backbone interact. energy: 0.142 local terms energy: -204.878029 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -48.387 flat angles P-C4'-P energy: -17.108 tors. eta vs tors. theta energy: -24.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -454.724823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.724823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.724823 (E_RNA) where: Base-Base interactions energy: -275.427 where: short stacking energy: -140.005 Base-Backbone interact. energy: -1.560 local terms energy: -177.737451 where: bonds (distance) C4'-P energy: -41.644 bonds (distance) P-C4' energy: -48.160 flat angles C4'-P-C4' energy: -47.393 flat angles P-C4'-P energy: -26.610 tors. eta vs tors. theta energy: -13.930 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: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -400.654566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.654566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.654566 (E_RNA) where: Base-Base interactions energy: -247.648 where: short stacking energy: -127.354 Base-Backbone interact. energy: 0.361 local terms energy: -153.368404 where: bonds (distance) C4'-P energy: -38.447 bonds (distance) P-C4' energy: -46.904 flat angles C4'-P-C4' energy: -41.304 flat angles P-C4'-P energy: -14.026 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1037.710128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.710128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.710128 (E_RNA) where: Base-Base interactions energy: -729.323 where: short stacking energy: -291.948 Base-Backbone interact. energy: -0.679 local terms energy: -307.708974 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -63.705 flat angles C4'-P-C4' energy: -67.299 flat angles P-C4'-P energy: -33.591 tors. eta vs tors. theta energy: -80.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -987.103251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.103251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.103251 (E_RNA) where: Base-Base interactions energy: -688.836 where: short stacking energy: -279.962 Base-Backbone interact. energy: -0.860 local terms energy: -297.407420 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -50.781 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -39.878 tors. eta vs tors. theta energy: -87.176 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: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -908.241768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.241768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.241768 (E_RNA) where: Base-Base interactions energy: -630.554 where: short stacking energy: -275.451 Base-Backbone interact. energy: 0.474 local terms energy: -278.162505 where: bonds (distance) C4'-P energy: -50.440 bonds (distance) P-C4' energy: -50.601 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -46.965 tors. eta vs tors. theta energy: -66.868 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: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -918.358166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.358166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.358166 (E_RNA) where: Base-Base interactions energy: -650.921 where: short stacking energy: -259.004 Base-Backbone interact. energy: -0.501 local terms energy: -266.937082 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -51.922 flat angles C4'-P-C4' energy: -57.191 flat angles P-C4'-P energy: -34.200 tors. eta vs tors. theta energy: -66.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -880.093212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.093212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.093212 (E_RNA) where: Base-Base interactions energy: -608.204 where: short stacking energy: -238.330 Base-Backbone interact. energy: -1.112 local terms energy: -270.777003 where: bonds (distance) C4'-P energy: -49.347 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -51.535 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: -68.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -802.129992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.129992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.129992 (E_RNA) where: Base-Base interactions energy: -545.187 where: short stacking energy: -257.787 Base-Backbone interact. energy: -0.472 local terms energy: -256.471560 where: bonds (distance) C4'-P energy: -44.471 bonds (distance) P-C4' energy: -50.621 flat angles C4'-P-C4' energy: -55.778 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: -72.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -723.548199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.548199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.548199 (E_RNA) where: Base-Base interactions energy: -482.271 where: short stacking energy: -202.992 Base-Backbone interact. energy: 0.567 local terms energy: -241.844088 where: bonds (distance) C4'-P energy: -55.819 bonds (distance) P-C4' energy: -47.719 flat angles C4'-P-C4' energy: -52.875 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: -46.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -621.921678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.921678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.921678 (E_RNA) where: Base-Base interactions energy: -425.886 where: short stacking energy: -181.594 Base-Backbone interact. energy: -0.784 local terms energy: -195.251308 where: bonds (distance) C4'-P energy: -46.082 bonds (distance) P-C4' energy: -48.584 flat angles C4'-P-C4' energy: -43.977 flat angles P-C4'-P energy: -17.654 tors. eta vs tors. theta energy: -38.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -477.643705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.643705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.643705 (E_RNA) where: Base-Base interactions energy: -287.094 where: short stacking energy: -144.954 Base-Backbone interact. energy: -0.065 local terms energy: -190.485021 where: bonds (distance) C4'-P energy: -42.932 bonds (distance) P-C4' energy: -50.709 flat angles C4'-P-C4' energy: -51.126 flat angles P-C4'-P energy: -26.202 tors. eta vs tors. theta energy: -19.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -424.355580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.355580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.355580 (E_RNA) where: Base-Base interactions energy: -258.028 where: short stacking energy: -131.130 Base-Backbone interact. energy: -2.211 local terms energy: -164.116733 where: bonds (distance) C4'-P energy: -44.912 bonds (distance) P-C4' energy: -43.303 flat angles C4'-P-C4' energy: -45.971 flat angles P-C4'-P energy: -22.330 tors. eta vs tors. theta energy: -7.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1031.154047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.154047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.154047 (E_RNA) where: Base-Base interactions energy: -719.412 where: short stacking energy: -287.322 Base-Backbone interact. energy: -2.246 local terms energy: -309.496382 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -65.836 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -80.794 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: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1002.340400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.340400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.340400 (E_RNA) where: Base-Base interactions energy: -699.509 where: short stacking energy: -303.430 Base-Backbone interact. energy: -1.127 local terms energy: -301.704101 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -36.844 tors. eta vs tors. theta energy: -80.979 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: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -946.999007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.999007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.999007 (E_RNA) where: Base-Base interactions energy: -640.893 where: short stacking energy: -281.654 Base-Backbone interact. energy: -1.005 local terms energy: -305.100624 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -55.510 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -78.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -938.016082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.016082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.016082 (E_RNA) where: Base-Base interactions energy: -669.477 where: short stacking energy: -269.954 Base-Backbone interact. energy: -1.125 local terms energy: -267.414291 where: bonds (distance) C4'-P energy: -41.909 bonds (distance) P-C4' energy: -50.632 flat angles C4'-P-C4' energy: -58.791 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -74.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -912.091114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.091114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.091114 (E_RNA) where: Base-Base interactions energy: -635.210 where: short stacking energy: -261.157 Base-Backbone interact. energy: -1.819 local terms energy: -275.061493 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -40.381 flat angles C4'-P-C4' energy: -60.339 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -79.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -791.594989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.594989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.594989 (E_RNA) where: Base-Base interactions energy: -548.193 where: short stacking energy: -231.738 Base-Backbone interact. energy: -0.079 local terms energy: -243.323239 where: bonds (distance) C4'-P energy: -50.210 bonds (distance) P-C4' energy: -47.889 flat angles C4'-P-C4' energy: -49.265 flat angles P-C4'-P energy: -28.952 tors. eta vs tors. theta energy: -67.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -701.172634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.172634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.172634 (E_RNA) where: Base-Base interactions energy: -474.120 where: short stacking energy: -194.571 Base-Backbone interact. energy: -0.977 local terms energy: -226.075603 where: bonds (distance) C4'-P energy: -52.773 bonds (distance) P-C4' energy: -52.687 flat angles C4'-P-C4' energy: -52.750 flat angles P-C4'-P energy: -32.465 tors. eta vs tors. theta energy: -35.401 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: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -639.122149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.122149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.122149 (E_RNA) where: Base-Base interactions energy: -405.202 where: short stacking energy: -179.181 Base-Backbone interact. energy: -1.661 local terms energy: -232.259262 where: bonds (distance) C4'-P energy: -40.373 bonds (distance) P-C4' energy: -58.854 flat angles C4'-P-C4' energy: -56.937 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: -42.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -451.231707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.231707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.231707 (E_RNA) where: Base-Base interactions energy: -255.049 where: short stacking energy: -110.347 Base-Backbone interact. energy: 0.404 local terms energy: -196.586035 where: bonds (distance) C4'-P energy: -46.978 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -45.528 flat angles P-C4'-P energy: -34.714 tors. eta vs tors. theta energy: -11.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -423.465539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.465539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.465539 (E_RNA) where: Base-Base interactions energy: -251.393 where: short stacking energy: -128.694 Base-Backbone interact. energy: 0.029 local terms energy: -172.102311 where: bonds (distance) C4'-P energy: -38.770 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -43.836 flat angles P-C4'-P energy: -21.653 tors. eta vs tors. theta energy: -18.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1040.321719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.321719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.321719 (E_RNA) where: Base-Base interactions energy: -736.261 where: short stacking energy: -289.850 Base-Backbone interact. energy: 1.342 local terms energy: -305.402834 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -61.942 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -83.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -999.720544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.720544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.720544 (E_RNA) where: Base-Base interactions energy: -683.836 where: short stacking energy: -284.709 Base-Backbone interact. energy: -0.600 local terms energy: -315.283821 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -60.558 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -79.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -918.817453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.817453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.817453 (E_RNA) where: Base-Base interactions energy: -646.413 where: short stacking energy: -268.578 Base-Backbone interact. energy: -0.607 local terms energy: -271.797276 where: bonds (distance) C4'-P energy: -47.586 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -54.334 flat angles P-C4'-P energy: -36.276 tors. eta vs tors. theta energy: -71.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -917.843090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.843090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.843090 (E_RNA) where: Base-Base interactions energy: -643.962 where: short stacking energy: -258.357 Base-Backbone interact. energy: -0.252 local terms energy: -273.628590 where: bonds (distance) C4'-P energy: -52.140 bonds (distance) P-C4' energy: -55.837 flat angles C4'-P-C4' energy: -60.608 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -67.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -909.385532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.385532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.385532 (E_RNA) where: Base-Base interactions energy: -635.418 where: short stacking energy: -271.361 Base-Backbone interact. energy: 1.048 local terms energy: -275.015408 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -56.503 flat angles P-C4'-P energy: -30.240 tors. eta vs tors. theta energy: -78.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -776.061028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.061028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.061028 (E_RNA) where: Base-Base interactions energy: -514.598 where: short stacking energy: -223.618 Base-Backbone interact. energy: -1.039 local terms energy: -260.424753 where: bonds (distance) C4'-P energy: -57.983 bonds (distance) P-C4' energy: -52.507 flat angles C4'-P-C4' energy: -53.655 flat angles P-C4'-P energy: -37.528 tors. eta vs tors. theta energy: -58.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -720.676991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.676991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.676991 (E_RNA) where: Base-Base interactions energy: -494.150 where: short stacking energy: -213.784 Base-Backbone interact. energy: -0.366 local terms energy: -226.161093 where: bonds (distance) C4'-P energy: -50.219 bonds (distance) P-C4' energy: -42.555 flat angles C4'-P-C4' energy: -55.705 flat angles P-C4'-P energy: -28.618 tors. eta vs tors. theta energy: -49.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -660.983116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.983116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.983116 (E_RNA) where: Base-Base interactions energy: -436.248 where: short stacking energy: -193.314 Base-Backbone interact. energy: 0.997 local terms energy: -225.732468 where: bonds (distance) C4'-P energy: -47.711 bonds (distance) P-C4' energy: -51.324 flat angles C4'-P-C4' energy: -48.098 flat angles P-C4'-P energy: -29.022 tors. eta vs tors. theta energy: -49.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -442.804025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.804025 (E_RNA) where: Base-Base interactions energy: -239.192 where: short stacking energy: -131.992 Base-Backbone interact. energy: 0.066 local terms energy: -203.678036 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -41.307 flat angles P-C4'-P energy: -33.307 tors. eta vs tors. theta energy: -15.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -407.331100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.331100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.331100 (E_RNA) where: Base-Base interactions energy: -230.652 where: short stacking energy: -114.835 Base-Backbone interact. energy: -0.457 local terms energy: -176.222332 where: bonds (distance) C4'-P energy: -46.839 bonds (distance) P-C4' energy: -51.189 flat angles C4'-P-C4' energy: -49.929 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -19.637 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: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1039.005478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.005478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.005478 (E_RNA) where: Base-Base interactions energy: -725.136 where: short stacking energy: -287.975 Base-Backbone interact. energy: -1.538 local terms energy: -312.330880 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -58.358 flat angles C4'-P-C4' energy: -67.154 flat angles P-C4'-P energy: -47.021 tors. eta vs tors. theta energy: -80.769 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -989.112130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.112130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.112130 (E_RNA) where: Base-Base interactions energy: -693.617 where: short stacking energy: -302.606 Base-Backbone interact. energy: -1.535 local terms energy: -293.960578 where: bonds (distance) C4'-P energy: -48.628 bonds (distance) P-C4' energy: -52.045 flat angles C4'-P-C4' energy: -63.995 flat angles P-C4'-P energy: -43.253 tors. eta vs tors. theta energy: -86.039 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: 255 Temperature: 1.000000 Total energy: -945.088382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.088382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.088382 (E_RNA) where: Base-Base interactions energy: -651.803 where: short stacking energy: -271.994 Base-Backbone interact. energy: -1.991 local terms energy: -291.293926 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -54.635 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -78.640 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: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -902.325578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.325578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.325578 (E_RNA) where: Base-Base interactions energy: -636.737 where: short stacking energy: -253.108 Base-Backbone interact. energy: -0.049 local terms energy: -265.539465 where: bonds (distance) C4'-P energy: -55.761 bonds (distance) P-C4' energy: -49.965 flat angles C4'-P-C4' energy: -58.698 flat angles P-C4'-P energy: -35.717 tors. eta vs tors. theta energy: -65.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -901.067884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.067884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.067884 (E_RNA) where: Base-Base interactions energy: -654.174 where: short stacking energy: -275.034 Base-Backbone interact. energy: -0.301 local terms energy: -246.592871 where: bonds (distance) C4'-P energy: -40.982 bonds (distance) P-C4' energy: -38.503 flat angles C4'-P-C4' energy: -58.462 flat angles P-C4'-P energy: -35.496 tors. eta vs tors. theta energy: -73.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -770.646732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.646732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.646732 (E_RNA) where: Base-Base interactions energy: -524.562 where: short stacking energy: -223.086 Base-Backbone interact. energy: -0.819 local terms energy: -245.266067 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -33.653 tors. eta vs tors. theta energy: -46.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -713.426898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.426898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.426898 (E_RNA) where: Base-Base interactions energy: -492.169 where: short stacking energy: -192.353 Base-Backbone interact. energy: -1.865 local terms energy: -219.393558 where: bonds (distance) C4'-P energy: -49.214 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -44.933 flat angles P-C4'-P energy: -33.333 tors. eta vs tors. theta energy: -46.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -663.645050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.645050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.645050 (E_RNA) where: Base-Base interactions energy: -441.280 where: short stacking energy: -199.644 Base-Backbone interact. energy: -1.186 local terms energy: -221.179108 where: bonds (distance) C4'-P energy: -49.242 bonds (distance) P-C4' energy: -39.511 flat angles C4'-P-C4' energy: -55.328 flat angles P-C4'-P energy: -33.949 tors. eta vs tors. theta energy: -43.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -432.129606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.129606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.129606 (E_RNA) where: Base-Base interactions energy: -258.432 where: short stacking energy: -111.722 Base-Backbone interact. energy: -1.540 local terms energy: -172.157186 where: bonds (distance) C4'-P energy: -53.744 bonds (distance) P-C4' energy: -46.830 flat angles C4'-P-C4' energy: -32.805 flat angles P-C4'-P energy: -30.083 tors. eta vs tors. theta energy: -8.696 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: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -454.184486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.184486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.184486 (E_RNA) where: Base-Base interactions energy: -268.614 where: short stacking energy: -127.054 Base-Backbone interact. energy: -1.523 local terms energy: -184.048119 where: bonds (distance) C4'-P energy: -55.625 bonds (distance) P-C4' energy: -41.347 flat angles C4'-P-C4' energy: -47.519 flat angles P-C4'-P energy: -21.712 tors. eta vs tors. theta energy: -17.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1053.664265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.664265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.664265 (E_RNA) where: Base-Base interactions energy: -755.122 where: short stacking energy: -301.469 Base-Backbone interact. energy: -1.457 local terms energy: -297.085322 where: bonds (distance) C4'-P energy: -50.016 bonds (distance) P-C4' energy: -58.912 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -37.947 tors. eta vs tors. theta energy: -84.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1018.233221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.233221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.233221 (E_RNA) where: Base-Base interactions energy: -705.086 where: short stacking energy: -307.531 Base-Backbone interact. energy: -1.294 local terms energy: -311.853404 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -59.068 flat angles C4'-P-C4' energy: -63.534 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -81.649 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: 256 Temperature: 1.000000 Total energy: -936.474290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.474290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.474290 (E_RNA) where: Base-Base interactions energy: -638.252 where: short stacking energy: -282.594 Base-Backbone interact. energy: 0.841 local terms energy: -299.062593 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -49.577 flat angles C4'-P-C4' energy: -63.693 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -84.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -943.669836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.669836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.669836 (E_RNA) where: Base-Base interactions energy: -656.113 where: short stacking energy: -295.552 Base-Backbone interact. energy: -0.659 local terms energy: -286.897809 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -46.779 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -35.527 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: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -894.178136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.178136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.178136 (E_RNA) where: Base-Base interactions energy: -619.210 where: short stacking energy: -257.078 Base-Backbone interact. energy: 0.937 local terms energy: -275.905167 where: bonds (distance) C4'-P energy: -43.960 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -44.928 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: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -775.771294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.771294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.771294 (E_RNA) where: Base-Base interactions energy: -530.249 where: short stacking energy: -233.451 Base-Backbone interact. energy: 1.575 local terms energy: -247.097758 where: bonds (distance) C4'-P energy: -51.603 bonds (distance) P-C4' energy: -57.932 flat angles C4'-P-C4' energy: -46.112 flat angles P-C4'-P energy: -35.143 tors. eta vs tors. theta energy: -56.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -710.115586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.115586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.115586 (E_RNA) where: Base-Base interactions energy: -488.943 where: short stacking energy: -210.366 Base-Backbone interact. energy: -1.210 local terms energy: -219.962518 where: bonds (distance) C4'-P energy: -38.425 bonds (distance) P-C4' energy: -52.151 flat angles C4'-P-C4' energy: -46.375 flat angles P-C4'-P energy: -31.408 tors. eta vs tors. theta energy: -51.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -670.213801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.213801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.213801 (E_RNA) where: Base-Base interactions energy: -452.024 where: short stacking energy: -210.883 Base-Backbone interact. energy: 0.984 local terms energy: -219.173878 where: bonds (distance) C4'-P energy: -41.566 bonds (distance) P-C4' energy: -49.715 flat angles C4'-P-C4' energy: -51.746 flat angles P-C4'-P energy: -28.704 tors. eta vs tors. theta energy: -47.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -502.813045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.813045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.813045 (E_RNA) where: Base-Base interactions energy: -307.018 where: short stacking energy: -144.453 Base-Backbone interact. energy: -0.936 local terms energy: -194.858906 where: bonds (distance) C4'-P energy: -39.701 bonds (distance) P-C4' energy: -50.361 flat angles C4'-P-C4' energy: -46.033 flat angles P-C4'-P energy: -32.528 tors. eta vs tors. theta energy: -26.235 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: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -455.582672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.582672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.582672 (E_RNA) where: Base-Base interactions energy: -293.649 where: short stacking energy: -113.346 Base-Backbone interact. energy: 1.199 local terms energy: -163.132787 where: bonds (distance) C4'-P energy: -37.098 bonds (distance) P-C4' energy: -50.066 flat angles C4'-P-C4' energy: -48.102 flat angles P-C4'-P energy: -24.338 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1052.226570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.226570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.226570 (E_RNA) where: Base-Base interactions energy: -739.782 where: short stacking energy: -285.467 Base-Backbone interact. energy: -1.245 local terms energy: -311.199558 where: bonds (distance) C4'-P energy: -61.632 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -64.703 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -78.167 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1012.634789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.634789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.634789 (E_RNA) where: Base-Base interactions energy: -701.923 where: short stacking energy: -299.601 Base-Backbone interact. energy: -0.822 local terms energy: -309.889850 where: bonds (distance) C4'-P energy: -60.452 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -57.195 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -82.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -942.182264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.182264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.182264 (E_RNA) where: Base-Base interactions energy: -640.014 where: short stacking energy: -272.755 Base-Backbone interact. energy: 0.081 local terms energy: -302.249563 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -62.865 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -84.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -940.214754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.214754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.214754 (E_RNA) where: Base-Base interactions energy: -662.192 where: short stacking energy: -277.893 Base-Backbone interact. energy: 1.380 local terms energy: -279.403041 where: bonds (distance) C4'-P energy: -54.137 bonds (distance) P-C4' energy: -47.230 flat angles C4'-P-C4' energy: -62.846 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -78.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -896.888969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.888969 (E_RNA) where: Base-Base interactions energy: -613.376 where: short stacking energy: -271.020 Base-Backbone interact. energy: -2.607 local terms energy: -280.905782 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -56.612 flat angles C4'-P-C4' energy: -66.115 flat angles P-C4'-P energy: -41.057 tors. eta vs tors. theta energy: -66.507 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: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -759.598356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.598356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.598356 (E_RNA) where: Base-Base interactions energy: -520.487 where: short stacking energy: -218.755 Base-Backbone interact. energy: -0.346 local terms energy: -238.765951 where: bonds (distance) C4'-P energy: -42.512 bonds (distance) P-C4' energy: -56.221 flat angles C4'-P-C4' energy: -53.941 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -48.612 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: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -724.573807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.573807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.573807 (E_RNA) where: Base-Base interactions energy: -471.750 where: short stacking energy: -206.156 Base-Backbone interact. energy: -1.615 local terms energy: -251.208182 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -62.038 flat angles P-C4'-P energy: -32.017 tors. eta vs tors. theta energy: -51.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -715.588340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.588340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.588340 (E_RNA) where: Base-Base interactions energy: -474.389 where: short stacking energy: -213.499 Base-Backbone interact. energy: 1.302 local terms energy: -242.502009 where: bonds (distance) C4'-P energy: -43.067 bonds (distance) P-C4' energy: -52.256 flat angles C4'-P-C4' energy: -60.819 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: -49.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -523.860626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.860626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.860626 (E_RNA) where: Base-Base interactions energy: -327.781 where: short stacking energy: -158.701 Base-Backbone interact. energy: 3.212 local terms energy: -199.290978 where: bonds (distance) C4'-P energy: -39.171 bonds (distance) P-C4' energy: -53.658 flat angles C4'-P-C4' energy: -56.333 flat angles P-C4'-P energy: -28.940 tors. eta vs tors. theta energy: -21.190 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: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -422.647081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.647081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.647081 (E_RNA) where: Base-Base interactions energy: -239.107 where: short stacking energy: -126.082 Base-Backbone interact. energy: -1.065 local terms energy: -182.474811 where: bonds (distance) C4'-P energy: -49.130 bonds (distance) P-C4' energy: -41.915 flat angles C4'-P-C4' energy: -51.100 flat angles P-C4'-P energy: -22.480 tors. eta vs tors. theta energy: -17.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1035.885157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.885157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.885157 (E_RNA) where: Base-Base interactions energy: -749.093 where: short stacking energy: -304.186 Base-Backbone interact. energy: 0.943 local terms energy: -287.735179 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -56.652 flat angles C4'-P-C4' energy: -61.580 flat angles P-C4'-P energy: -30.370 tors. eta vs tors. theta energy: -83.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1000.035794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.035794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.035794 (E_RNA) where: Base-Base interactions energy: -695.074 where: short stacking energy: -298.497 Base-Backbone interact. energy: 0.286 local terms energy: -305.247701 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -54.586 flat angles C4'-P-C4' energy: -68.207 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -83.847 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: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -976.235083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.235083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.235083 (E_RNA) where: Base-Base interactions energy: -673.296 where: short stacking energy: -277.256 Base-Backbone interact. energy: 3.154 local terms energy: -306.092827 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -63.886 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -80.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -890.791673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.791673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.791673 (E_RNA) where: Base-Base interactions energy: -612.449 where: short stacking energy: -252.011 Base-Backbone interact. energy: -1.734 local terms energy: -276.608459 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -52.216 flat angles C4'-P-C4' energy: -59.731 flat angles P-C4'-P energy: -38.282 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: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -891.310154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.310154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.310154 (E_RNA) where: Base-Base interactions energy: -614.097 where: short stacking energy: -268.892 Base-Backbone interact. energy: -1.500 local terms energy: -275.713826 where: bonds (distance) C4'-P energy: -39.636 bonds (distance) P-C4' energy: -54.553 flat angles C4'-P-C4' energy: -58.829 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -77.463 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: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -757.758981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.758981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.758981 (E_RNA) where: Base-Base interactions energy: -511.159 where: short stacking energy: -215.509 Base-Backbone interact. energy: 0.875 local terms energy: -247.475385 where: bonds (distance) C4'-P energy: -50.445 bonds (distance) P-C4' energy: -60.666 flat angles C4'-P-C4' energy: -50.297 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -47.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -734.612675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.612675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.612675 (E_RNA) where: Base-Base interactions energy: -477.366 where: short stacking energy: -222.238 Base-Backbone interact. energy: -0.406 local terms energy: -256.839912 where: bonds (distance) C4'-P energy: -49.848 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -52.987 flat angles P-C4'-P energy: -33.925 tors. eta vs tors. theta energy: -62.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -648.312509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.312509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.312509 (E_RNA) where: Base-Base interactions energy: -436.277 where: short stacking energy: -196.183 Base-Backbone interact. energy: 0.610 local terms energy: -212.645392 where: bonds (distance) C4'-P energy: -44.033 bonds (distance) P-C4' energy: -49.789 flat angles C4'-P-C4' energy: -37.561 flat angles P-C4'-P energy: -37.033 tors. eta vs tors. theta energy: -44.229 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: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -530.537869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.537869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.537869 (E_RNA) where: Base-Base interactions energy: -331.322 where: short stacking energy: -170.684 Base-Backbone interact. energy: -0.914 local terms energy: -198.302237 where: bonds (distance) C4'-P energy: -38.228 bonds (distance) P-C4' energy: -42.819 flat angles C4'-P-C4' energy: -48.938 flat angles P-C4'-P energy: -27.462 tors. eta vs tors. theta energy: -40.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -372.196687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.196687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.196687 (E_RNA) where: Base-Base interactions energy: -197.337 where: short stacking energy: -98.817 Base-Backbone interact. energy: 1.096 local terms energy: -175.956174 where: bonds (distance) C4'-P energy: -49.262 bonds (distance) P-C4' energy: -46.131 flat angles C4'-P-C4' energy: -43.935 flat angles P-C4'-P energy: -34.440 tors. eta vs tors. theta energy: -2.189 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: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1057.813756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.813756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.813756 (E_RNA) where: Base-Base interactions energy: -752.058 where: short stacking energy: -287.389 Base-Backbone interact. energy: -3.791 local terms energy: -301.963856 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -59.321 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -43.671 tors. eta vs tors. theta energy: -74.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -991.540386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.540386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.540386 (E_RNA) where: Base-Base interactions energy: -693.519 where: short stacking energy: -297.435 Base-Backbone interact. energy: -1.086 local terms energy: -296.935931 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -57.931 flat angles C4'-P-C4' energy: -60.054 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -972.073209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.073209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.073209 (E_RNA) where: Base-Base interactions energy: -676.499 where: short stacking energy: -286.040 Base-Backbone interact. energy: -1.136 local terms energy: -294.437512 where: bonds (distance) C4'-P energy: -45.921 bonds (distance) P-C4' energy: -60.749 flat angles C4'-P-C4' energy: -61.201 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -81.247 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: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -926.120569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.120569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.120569 (E_RNA) where: Base-Base interactions energy: -654.593 where: short stacking energy: -265.348 Base-Backbone interact. energy: -1.863 local terms energy: -269.664636 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -45.128 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: -74.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -850.014374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.014374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.014374 (E_RNA) where: Base-Base interactions energy: -581.882 where: short stacking energy: -252.599 Base-Backbone interact. energy: 0.795 local terms energy: -268.927334 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -58.024 flat angles C4'-P-C4' energy: -52.703 flat angles P-C4'-P energy: -28.258 tors. eta vs tors. theta energy: -68.238 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: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -753.353723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.353723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.353723 (E_RNA) where: Base-Base interactions energy: -483.523 where: short stacking energy: -213.115 Base-Backbone interact. energy: -0.415 local terms energy: -269.415522 where: bonds (distance) C4'-P energy: -54.814 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: -57.683 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: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -711.861002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.861002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.861002 (E_RNA) where: Base-Base interactions energy: -496.616 where: short stacking energy: -230.130 Base-Backbone interact. energy: -1.109 local terms energy: -214.136723 where: bonds (distance) C4'-P energy: -43.910 bonds (distance) P-C4' energy: -42.861 flat angles C4'-P-C4' energy: -52.769 flat angles P-C4'-P energy: -21.713 tors. eta vs tors. theta energy: -52.883 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: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -645.165200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.165200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.165200 (E_RNA) where: Base-Base interactions energy: -409.192 where: short stacking energy: -175.700 Base-Backbone interact. energy: 3.034 local terms energy: -239.008027 where: bonds (distance) C4'-P energy: -44.651 bonds (distance) P-C4' energy: -60.464 flat angles C4'-P-C4' energy: -56.132 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: -43.647 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: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -507.828127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.828127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.828127 (E_RNA) where: Base-Base interactions energy: -313.097 where: short stacking energy: -141.261 Base-Backbone interact. energy: 3.018 local terms energy: -197.749524 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -38.287 flat angles C4'-P-C4' energy: -44.567 flat angles P-C4'-P energy: -31.067 tors. eta vs tors. theta energy: -26.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -373.557538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.557538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.557538 (E_RNA) where: Base-Base interactions energy: -195.506 where: short stacking energy: -104.829 Base-Backbone interact. energy: -0.209 local terms energy: -177.842680 where: bonds (distance) C4'-P energy: -43.641 bonds (distance) P-C4' energy: -39.769 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -28.369 tors. eta vs tors. theta energy: -10.053 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: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1034.491835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.491835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.491835 (E_RNA) where: Base-Base interactions energy: -734.703 where: short stacking energy: -293.370 Base-Backbone interact. energy: -0.094 local terms energy: -299.694546 where: bonds (distance) C4'-P energy: -55.289 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -61.813 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: -82.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -979.074799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.074799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.074799 (E_RNA) where: Base-Base interactions energy: -671.884 where: short stacking energy: -281.859 Base-Backbone interact. energy: -1.186 local terms energy: -306.005204 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -66.897 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -79.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -984.734335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.734335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.734335 (E_RNA) where: Base-Base interactions energy: -677.990 where: short stacking energy: -308.113 Base-Backbone interact. energy: 1.607 local terms energy: -308.351419 where: bonds (distance) C4'-P energy: -50.568 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -64.280 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -83.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -924.752528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.752528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.752528 (E_RNA) where: Base-Base interactions energy: -645.418 where: short stacking energy: -263.477 Base-Backbone interact. energy: -2.814 local terms energy: -276.521089 where: bonds (distance) C4'-P energy: -48.847 bonds (distance) P-C4' energy: -49.620 flat angles C4'-P-C4' energy: -64.251 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: -74.860 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: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -872.951763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.951763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.951763 (E_RNA) where: Base-Base interactions energy: -612.859 where: short stacking energy: -244.722 Base-Backbone interact. energy: -0.216 local terms energy: -259.876154 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -53.581 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -25.222 tors. eta vs tors. theta energy: -63.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -779.117764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.117764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.117764 (E_RNA) where: Base-Base interactions energy: -520.309 where: short stacking energy: -232.894 Base-Backbone interact. energy: -0.608 local terms energy: -258.200915 where: bonds (distance) C4'-P energy: -57.648 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -49.320 flat angles P-C4'-P energy: -36.344 tors. eta vs tors. theta energy: -57.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -710.388380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.388380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.388380 (E_RNA) where: Base-Base interactions energy: -472.532 where: short stacking energy: -217.574 Base-Backbone interact. energy: 6.802 local terms energy: -244.658079 where: bonds (distance) C4'-P energy: -49.864 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -44.054 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -52.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -669.164723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.164723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.164723 (E_RNA) where: Base-Base interactions energy: -443.036 where: short stacking energy: -201.885 Base-Backbone interact. energy: 0.293 local terms energy: -226.422338 where: bonds (distance) C4'-P energy: -46.167 bonds (distance) P-C4' energy: -46.637 flat angles C4'-P-C4' energy: -55.705 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: -43.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -558.503080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.503080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.503080 (E_RNA) where: Base-Base interactions energy: -346.655 where: short stacking energy: -151.008 Base-Backbone interact. energy: -1.893 local terms energy: -209.955252 where: bonds (distance) C4'-P energy: -48.061 bonds (distance) P-C4' energy: -46.236 flat angles C4'-P-C4' energy: -52.444 flat angles P-C4'-P energy: -24.902 tors. eta vs tors. theta energy: -38.314 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: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -356.376367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.376367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.376367 (E_RNA) where: Base-Base interactions energy: -172.720 where: short stacking energy: -107.354 Base-Backbone interact. energy: -1.281 local terms energy: -182.376078 where: bonds (distance) C4'-P energy: -33.598 bonds (distance) P-C4' energy: -44.556 flat angles C4'-P-C4' energy: -53.461 flat angles P-C4'-P energy: -40.396 tors. eta vs tors. theta energy: -10.366 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: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1043.903216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.903216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.903216 (E_RNA) where: Base-Base interactions energy: -745.213 where: short stacking energy: -315.853 Base-Backbone interact. energy: -1.439 local terms energy: -297.251560 where: bonds (distance) C4'-P energy: -51.131 bonds (distance) P-C4' energy: -56.531 flat angles C4'-P-C4' energy: -63.239 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -81.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -988.879083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.879083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.879083 (E_RNA) where: Base-Base interactions energy: -688.989 where: short stacking energy: -298.744 Base-Backbone interact. energy: -0.690 local terms energy: -299.199830 where: bonds (distance) C4'-P energy: -55.555 bonds (distance) P-C4' energy: -52.242 flat angles C4'-P-C4' energy: -56.967 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: -93.519 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -972.417708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.417708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.417708 (E_RNA) where: Base-Base interactions energy: -680.223 where: short stacking energy: -306.040 Base-Backbone interact. energy: -0.335 local terms energy: -291.859775 where: bonds (distance) C4'-P energy: -48.878 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -57.806 flat angles P-C4'-P energy: -42.787 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: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -914.577708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.577708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.577708 (E_RNA) where: Base-Base interactions energy: -645.454 where: short stacking energy: -269.703 Base-Backbone interact. energy: -2.299 local terms energy: -266.825182 where: bonds (distance) C4'-P energy: -49.632 bonds (distance) P-C4' energy: -53.189 flat angles C4'-P-C4' energy: -54.028 flat angles P-C4'-P energy: -31.601 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: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -856.949470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.949470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.949470 (E_RNA) where: Base-Base interactions energy: -607.519 where: short stacking energy: -238.984 Base-Backbone interact. energy: -2.250 local terms energy: -247.180494 where: bonds (distance) C4'-P energy: -46.136 bonds (distance) P-C4' energy: -41.384 flat angles C4'-P-C4' energy: -59.052 flat angles P-C4'-P energy: -33.824 tors. eta vs tors. theta energy: -66.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -739.909722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.909722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.909722 (E_RNA) where: Base-Base interactions energy: -504.755 where: short stacking energy: -222.231 Base-Backbone interact. energy: 1.364 local terms energy: -236.518895 where: bonds (distance) C4'-P energy: -45.758 bonds (distance) P-C4' energy: -44.407 flat angles C4'-P-C4' energy: -60.141 flat angles P-C4'-P energy: -40.893 tors. eta vs tors. theta energy: -45.319 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: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -693.147487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.147487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.147487 (E_RNA) where: Base-Base interactions energy: -455.312 where: short stacking energy: -199.520 Base-Backbone interact. energy: -0.741 local terms energy: -237.093828 where: bonds (distance) C4'-P energy: -39.497 bonds (distance) P-C4' energy: -55.024 flat angles C4'-P-C4' energy: -53.912 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: -46.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -609.903318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.903318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.903318 (E_RNA) where: Base-Base interactions energy: -377.413 where: short stacking energy: -148.464 Base-Backbone interact. energy: -1.107 local terms energy: -231.382551 where: bonds (distance) C4'-P energy: -48.954 bonds (distance) P-C4' energy: -50.003 flat angles C4'-P-C4' energy: -58.284 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: -41.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -484.754831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.754831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.754831 (E_RNA) where: Base-Base interactions energy: -289.105 where: short stacking energy: -145.666 Base-Backbone interact. energy: -1.266 local terms energy: -194.384374 where: bonds (distance) C4'-P energy: -42.682 bonds (distance) P-C4' energy: -56.547 flat angles C4'-P-C4' energy: -41.950 flat angles P-C4'-P energy: -30.825 tors. eta vs tors. theta energy: -22.380 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: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -366.427657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.427657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.427657 (E_RNA) where: Base-Base interactions energy: -187.422 where: short stacking energy: -98.930 Base-Backbone interact. energy: -0.936 local terms energy: -178.069659 where: bonds (distance) C4'-P energy: -49.211 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -54.159 flat angles P-C4'-P energy: -22.684 tors. eta vs tors. theta energy: 4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1049.386108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.386108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.386108 (E_RNA) where: Base-Base interactions energy: -740.308 where: short stacking energy: -298.770 Base-Backbone interact. energy: -1.649 local terms energy: -307.428859 where: bonds (distance) C4'-P energy: -58.755 bonds (distance) P-C4' energy: -58.750 flat angles C4'-P-C4' energy: -66.207 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -81.968 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: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1009.777416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.777416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.777416 (E_RNA) where: Base-Base interactions energy: -710.516 where: short stacking energy: -308.948 Base-Backbone interact. energy: -0.658 local terms energy: -298.603324 where: bonds (distance) C4'-P energy: -53.045 bonds (distance) P-C4' energy: -54.544 flat angles C4'-P-C4' energy: -68.391 flat angles P-C4'-P energy: -35.480 tors. eta vs tors. theta energy: -87.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -987.313389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.313389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.313389 (E_RNA) where: Base-Base interactions energy: -681.827 where: short stacking energy: -290.396 Base-Backbone interact. energy: -1.532 local terms energy: -303.954791 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -58.697 flat angles C4'-P-C4' energy: -62.542 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -86.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -900.983249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.983249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.983249 (E_RNA) where: Base-Base interactions energy: -617.495 where: short stacking energy: -257.623 Base-Backbone interact. energy: -2.295 local terms energy: -281.192508 where: bonds (distance) C4'-P energy: -52.356 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -55.462 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -70.362 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: 262 Temperature: 1.100000 Total energy: -830.519188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.519188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.519188 (E_RNA) where: Base-Base interactions energy: -567.181 where: short stacking energy: -224.859 Base-Backbone interact. energy: 2.539 local terms energy: -265.877472 where: bonds (distance) C4'-P energy: -43.287 bonds (distance) P-C4' energy: -60.866 flat angles C4'-P-C4' energy: -60.642 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: -55.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -748.288904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.288904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.288904 (E_RNA) where: Base-Base interactions energy: -501.049 where: short stacking energy: -218.058 Base-Backbone interact. energy: -0.671 local terms energy: -246.569321 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -49.284 flat angles C4'-P-C4' energy: -58.106 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -45.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -665.906664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.906664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.906664 (E_RNA) where: Base-Base interactions energy: -419.507 where: short stacking energy: -189.111 Base-Backbone interact. energy: -0.344 local terms energy: -246.055508 where: bonds (distance) C4'-P energy: -44.649 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -57.280 flat angles P-C4'-P energy: -41.239 tors. eta vs tors. theta energy: -47.311 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -654.220123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.220123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.220123 (E_RNA) where: Base-Base interactions energy: -448.146 where: short stacking energy: -189.436 Base-Backbone interact. energy: 2.528 local terms energy: -208.602191 where: bonds (distance) C4'-P energy: -39.636 bonds (distance) P-C4' energy: -43.708 flat angles C4'-P-C4' energy: -47.329 flat angles P-C4'-P energy: -32.066 tors. eta vs tors. theta energy: -45.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -471.277114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.277114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.277114 (E_RNA) where: Base-Base interactions energy: -279.678 where: short stacking energy: -119.204 Base-Backbone interact. energy: -1.280 local terms energy: -190.319327 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -48.374 flat angles C4'-P-C4' energy: -43.893 flat angles P-C4'-P energy: -25.719 tors. eta vs tors. theta energy: -16.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -424.982468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.982468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.982468 (E_RNA) where: Base-Base interactions energy: -251.124 where: short stacking energy: -113.849 Base-Backbone interact. energy: 1.005 local terms energy: -174.863474 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -57.882 flat angles C4'-P-C4' energy: -40.620 flat angles P-C4'-P energy: -18.899 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1044.157057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.157057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.157057 (E_RNA) where: Base-Base interactions energy: -730.753 where: short stacking energy: -294.196 Base-Backbone interact. energy: -0.959 local terms energy: -312.445392 where: bonds (distance) C4'-P energy: -51.749 bonds (distance) P-C4' energy: -59.720 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -83.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1010.428503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.428503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.428503 (E_RNA) where: Base-Base interactions energy: -697.614 where: short stacking energy: -306.820 Base-Backbone interact. energy: -1.638 local terms energy: -311.176989 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -55.751 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -89.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -958.932215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.932215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.932215 (E_RNA) where: Base-Base interactions energy: -669.342 where: short stacking energy: -280.769 Base-Backbone interact. energy: -1.524 local terms energy: -288.066231 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -61.311 flat angles P-C4'-P energy: -33.917 tors. eta vs tors. theta energy: -80.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -940.590711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.590711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.590711 (E_RNA) where: Base-Base interactions energy: -650.409 where: short stacking energy: -275.311 Base-Backbone interact. energy: -0.768 local terms energy: -289.413722 where: bonds (distance) C4'-P energy: -54.042 bonds (distance) P-C4' energy: -51.128 flat angles C4'-P-C4' energy: -59.375 flat angles P-C4'-P energy: -45.677 tors. eta vs tors. theta energy: -79.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -842.692976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.692976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.692976 (E_RNA) where: Base-Base interactions energy: -571.979 where: short stacking energy: -254.380 Base-Backbone interact. energy: -0.275 local terms energy: -270.439255 where: bonds (distance) C4'-P energy: -54.834 bonds (distance) P-C4' energy: -51.331 flat angles C4'-P-C4' energy: -56.005 flat angles P-C4'-P energy: -31.842 tors. eta vs tors. theta energy: -76.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -752.068964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.068964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.068964 (E_RNA) where: Base-Base interactions energy: -513.456 where: short stacking energy: -229.189 Base-Backbone interact. energy: 0.248 local terms energy: -238.860869 where: bonds (distance) C4'-P energy: -52.236 bonds (distance) P-C4' energy: -51.761 flat angles C4'-P-C4' energy: -42.516 flat angles P-C4'-P energy: -38.267 tors. eta vs tors. theta energy: -54.081 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -644.637547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.637547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.637547 (E_RNA) where: Base-Base interactions energy: -398.399 where: short stacking energy: -183.014 Base-Backbone interact. energy: -0.738 local terms energy: -245.500846 where: bonds (distance) C4'-P energy: -52.982 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -50.718 flat angles P-C4'-P energy: -41.102 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: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -695.394150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.394150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.394150 (E_RNA) where: Base-Base interactions energy: -459.607 where: short stacking energy: -213.071 Base-Backbone interact. energy: 0.421 local terms energy: -236.207671 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -33.437 flat angles P-C4'-P energy: -35.631 tors. eta vs tors. theta energy: -49.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -499.498496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.498496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.498496 (E_RNA) where: Base-Base interactions energy: -314.707 where: short stacking energy: -157.368 Base-Backbone interact. energy: 1.099 local terms energy: -185.891293 where: bonds (distance) C4'-P energy: -40.795 bonds (distance) P-C4' energy: -38.151 flat angles C4'-P-C4' energy: -51.282 flat angles P-C4'-P energy: -31.623 tors. eta vs tors. theta energy: -24.041 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: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -442.215511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.215511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.215511 (E_RNA) where: Base-Base interactions energy: -276.595 where: short stacking energy: -135.845 Base-Backbone interact. energy: -0.699 local terms energy: -164.921677 where: bonds (distance) C4'-P energy: -41.651 bonds (distance) P-C4' energy: -43.819 flat angles C4'-P-C4' energy: -35.801 flat angles P-C4'-P energy: -28.945 tors. eta vs tors. theta energy: -14.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1042.343986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.343986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.343986 (E_RNA) where: Base-Base interactions energy: -723.801 where: short stacking energy: -302.841 Base-Backbone interact. energy: -1.258 local terms energy: -317.285503 where: bonds (distance) C4'-P energy: -61.771 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -71.156 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -82.866 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: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -983.883262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.883262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.883262 (E_RNA) where: Base-Base interactions energy: -672.354 where: short stacking energy: -289.590 Base-Backbone interact. energy: -0.528 local terms energy: -311.001284 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -62.050 flat angles C4'-P-C4' energy: -62.902 flat angles P-C4'-P energy: -45.630 tors. eta vs tors. theta energy: -80.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -955.593253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.593253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.593253 (E_RNA) where: Base-Base interactions energy: -664.374 where: short stacking energy: -281.016 Base-Backbone interact. energy: -0.810 local terms energy: -290.409190 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -61.176 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: -84.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -931.001904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.001904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.001904 (E_RNA) where: Base-Base interactions energy: -646.190 where: short stacking energy: -273.220 Base-Backbone interact. energy: 2.108 local terms energy: -286.919898 where: bonds (distance) C4'-P energy: -48.362 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -50.054 flat angles P-C4'-P energy: -52.088 tors. eta vs tors. theta energy: -72.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -824.761350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.761350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.761350 (E_RNA) where: Base-Base interactions energy: -560.080 where: short stacking energy: -248.948 Base-Backbone interact. energy: -0.358 local terms energy: -264.324219 where: bonds (distance) C4'-P energy: -47.439 bonds (distance) P-C4' energy: -47.826 flat angles C4'-P-C4' energy: -58.569 flat angles P-C4'-P energy: -43.859 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: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -743.601707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.601707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.601707 (E_RNA) where: Base-Base interactions energy: -513.012 where: short stacking energy: -217.448 Base-Backbone interact. energy: -2.005 local terms energy: -228.584605 where: bonds (distance) C4'-P energy: -45.394 bonds (distance) P-C4' energy: -43.211 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -21.665 tors. eta vs tors. theta energy: -50.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -695.217865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.217865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.217865 (E_RNA) where: Base-Base interactions energy: -449.815 where: short stacking energy: -213.988 Base-Backbone interact. energy: -1.264 local terms energy: -244.138453 where: bonds (distance) C4'-P energy: -48.421 bonds (distance) P-C4' energy: -54.754 flat angles C4'-P-C4' energy: -52.485 flat angles P-C4'-P energy: -30.307 tors. eta vs tors. theta energy: -58.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -645.248320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.248320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.248320 (E_RNA) where: Base-Base interactions energy: -451.347 where: short stacking energy: -198.674 Base-Backbone interact. energy: 0.907 local terms energy: -194.808343 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -33.845 flat angles C4'-P-C4' energy: -43.770 flat angles P-C4'-P energy: -24.603 tors. eta vs tors. theta energy: -38.317 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: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -451.890934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.890934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.890934 (E_RNA) where: Base-Base interactions energy: -273.390 where: short stacking energy: -128.416 Base-Backbone interact. energy: -1.672 local terms energy: -176.829226 where: bonds (distance) C4'-P energy: -43.713 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -54.541 flat angles P-C4'-P energy: -20.990 tors. eta vs tors. theta energy: -6.584 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: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -487.078648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.078648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.078648 (E_RNA) where: Base-Base interactions energy: -285.161 where: short stacking energy: -149.631 Base-Backbone interact. energy: -1.573 local terms energy: -200.344192 where: bonds (distance) C4'-P energy: -55.899 bonds (distance) P-C4' energy: -51.120 flat angles C4'-P-C4' energy: -46.345 flat angles P-C4'-P energy: -21.677 tors. eta vs tors. theta energy: -25.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1029.896435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.896435 (E_RNA) where: Base-Base interactions energy: -720.126 where: short stacking energy: -298.119 Base-Backbone interact. energy: -1.611 local terms energy: -308.158876 where: bonds (distance) C4'-P energy: -52.499 bonds (distance) P-C4' energy: -55.092 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -46.056 tors. eta vs tors. theta energy: -86.302 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: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1004.602752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.602752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.602752 (E_RNA) where: Base-Base interactions energy: -693.763 where: short stacking energy: -311.585 Base-Backbone interact. energy: -1.034 local terms energy: -309.805394 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -60.993 flat angles C4'-P-C4' energy: -61.766 flat angles P-C4'-P energy: -36.624 tors. eta vs tors. theta energy: -88.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -963.039374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.039374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.039374 (E_RNA) where: Base-Base interactions energy: -666.421 where: short stacking energy: -291.883 Base-Backbone interact. energy: -2.188 local terms energy: -294.430623 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -43.848 flat angles C4'-P-C4' energy: -63.913 flat angles P-C4'-P energy: -41.281 tors. eta vs tors. theta energy: -85.629 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: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -904.868820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.868820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.868820 (E_RNA) where: Base-Base interactions energy: -629.382 where: short stacking energy: -254.017 Base-Backbone interact. energy: -1.578 local terms energy: -273.909319 where: bonds (distance) C4'-P energy: -50.475 bonds (distance) P-C4' energy: -52.368 flat angles C4'-P-C4' energy: -62.029 flat angles P-C4'-P energy: -38.985 tors. eta vs tors. theta energy: -70.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -828.900654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.900654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.900654 (E_RNA) where: Base-Base interactions energy: -580.698 where: short stacking energy: -247.474 Base-Backbone interact. energy: 0.411 local terms energy: -248.613472 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -45.126 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -32.342 tors. eta vs tors. theta energy: -62.705 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: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -801.340657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.340657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.340657 (E_RNA) where: Base-Base interactions energy: -529.160 where: short stacking energy: -229.826 Base-Backbone interact. energy: -0.232 local terms energy: -271.948960 where: bonds (distance) C4'-P energy: -49.145 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -56.240 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -62.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -644.636517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.636517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.636517 (E_RNA) where: Base-Base interactions energy: -427.774 where: short stacking energy: -200.736 Base-Backbone interact. energy: -0.865 local terms energy: -215.997329 where: bonds (distance) C4'-P energy: -47.265 bonds (distance) P-C4' energy: -37.671 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -30.089 tors. eta vs tors. theta energy: -40.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -646.498093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.498093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.498093 (E_RNA) where: Base-Base interactions energy: -442.477 where: short stacking energy: -198.537 Base-Backbone interact. energy: 5.598 local terms energy: -209.619218 where: bonds (distance) C4'-P energy: -41.985 bonds (distance) P-C4' energy: -49.487 flat angles C4'-P-C4' energy: -51.593 flat angles P-C4'-P energy: -26.191 tors. eta vs tors. theta energy: -40.363 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: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -475.149528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.149528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.149528 (E_RNA) where: Base-Base interactions energy: -293.815 where: short stacking energy: -148.296 Base-Backbone interact. energy: -0.916 local terms energy: -180.417821 where: bonds (distance) C4'-P energy: -41.516 bonds (distance) P-C4' energy: -43.836 flat angles C4'-P-C4' energy: -39.145 flat angles P-C4'-P energy: -30.202 tors. eta vs tors. theta energy: -25.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -473.611781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.611781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.611781 (E_RNA) where: Base-Base interactions energy: -282.123 where: short stacking energy: -135.038 Base-Backbone interact. energy: -0.484 local terms energy: -191.005058 where: bonds (distance) C4'-P energy: -44.221 bonds (distance) P-C4' energy: -52.172 flat angles C4'-P-C4' energy: -43.345 flat angles P-C4'-P energy: -27.118 tors. eta vs tors. theta energy: -24.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1034.860311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.860311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.860311 (E_RNA) where: Base-Base interactions energy: -728.701 where: short stacking energy: -301.262 Base-Backbone interact. energy: -0.762 local terms energy: -305.397293 where: bonds (distance) C4'-P energy: -53.520 bonds (distance) P-C4' energy: -54.194 flat angles C4'-P-C4' energy: -64.842 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -84.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -997.175926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.175926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.175926 (E_RNA) where: Base-Base interactions energy: -683.654 where: short stacking energy: -296.297 Base-Backbone interact. energy: -1.065 local terms energy: -312.457587 where: bonds (distance) C4'-P energy: -60.116 bonds (distance) P-C4' energy: -60.199 flat angles C4'-P-C4' energy: -66.958 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -952.306083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.306083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.306083 (E_RNA) where: Base-Base interactions energy: -675.257 where: short stacking energy: -283.120 Base-Backbone interact. energy: -1.467 local terms energy: -275.582269 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -52.257 flat angles C4'-P-C4' energy: -52.891 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: -74.232 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -945.882444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.882444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.882444 (E_RNA) where: Base-Base interactions energy: -671.282 where: short stacking energy: -280.827 Base-Backbone interact. energy: -1.685 local terms energy: -272.915799 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -48.429 flat angles C4'-P-C4' energy: -66.252 flat angles P-C4'-P energy: -25.863 tors. eta vs tors. theta energy: -77.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -773.660368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.660368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.660368 (E_RNA) where: Base-Base interactions energy: -535.922 where: short stacking energy: -227.696 Base-Backbone interact. energy: 0.213 local terms energy: -237.950721 where: bonds (distance) C4'-P energy: -44.198 bonds (distance) P-C4' energy: -47.175 flat angles C4'-P-C4' energy: -61.539 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -50.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -812.375961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.375961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.375961 (E_RNA) where: Base-Base interactions energy: -550.024 where: short stacking energy: -241.885 Base-Backbone interact. energy: 2.575 local terms energy: -264.927114 where: bonds (distance) C4'-P energy: -56.201 bonds (distance) P-C4' energy: -51.939 flat angles C4'-P-C4' energy: -55.432 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -63.651 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: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -634.923714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.923714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.923714 (E_RNA) where: Base-Base interactions energy: -415.997 where: short stacking energy: -189.932 Base-Backbone interact. energy: -1.625 local terms energy: -217.302318 where: bonds (distance) C4'-P energy: -38.070 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -51.072 flat angles P-C4'-P energy: -35.407 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -640.288771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.288771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.288771 (E_RNA) where: Base-Base interactions energy: -418.956 where: short stacking energy: -180.221 Base-Backbone interact. energy: -1.374 local terms energy: -219.958947 where: bonds (distance) C4'-P energy: -43.165 bonds (distance) P-C4' energy: -44.127 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -37.971 tors. eta vs tors. theta energy: -43.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -496.296295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.296295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.296295 (E_RNA) where: Base-Base interactions energy: -290.044 where: short stacking energy: -144.490 Base-Backbone interact. energy: -1.708 local terms energy: -204.544883 where: bonds (distance) C4'-P energy: -49.271 bonds (distance) P-C4' energy: -56.345 flat angles C4'-P-C4' energy: -49.239 flat angles P-C4'-P energy: -28.232 tors. eta vs tors. theta energy: -21.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -478.074330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.074330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.074330 (E_RNA) where: Base-Base interactions energy: -291.845 where: short stacking energy: -147.726 Base-Backbone interact. energy: -0.776 local terms energy: -185.453727 where: bonds (distance) C4'-P energy: -42.202 bonds (distance) P-C4' energy: -43.677 flat angles C4'-P-C4' energy: -54.766 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -18.183 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: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1042.903692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.903692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.903692 (E_RNA) where: Base-Base interactions energy: -733.954 where: short stacking energy: -303.466 Base-Backbone interact. energy: -0.226 local terms energy: -308.723016 where: bonds (distance) C4'-P energy: -62.591 bonds (distance) P-C4' energy: -56.176 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -80.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -971.409893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.409893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.409893 (E_RNA) where: Base-Base interactions energy: -663.749 where: short stacking energy: -286.224 Base-Backbone interact. energy: -1.711 local terms energy: -305.949937 where: bonds (distance) C4'-P energy: -54.035 bonds (distance) P-C4' energy: -61.532 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -44.743 tors. eta vs tors. theta energy: -80.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -968.235465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.235465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.235465 (E_RNA) where: Base-Base interactions energy: -678.137 where: short stacking energy: -287.776 Base-Backbone interact. energy: 2.160 local terms energy: -292.258991 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -58.387 flat angles C4'-P-C4' energy: -69.626 flat angles P-C4'-P energy: -33.994 tors. eta vs tors. theta energy: -77.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -966.662352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.662352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.662352 (E_RNA) where: Base-Base interactions energy: -680.936 where: short stacking energy: -277.573 Base-Backbone interact. energy: -2.077 local terms energy: -283.649741 where: bonds (distance) C4'-P energy: -47.291 bonds (distance) P-C4' energy: -50.853 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -38.753 tors. eta vs tors. theta energy: -80.800 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: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -780.040603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.040603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.040603 (E_RNA) where: Base-Base interactions energy: -517.520 where: short stacking energy: -220.210 Base-Backbone interact. energy: -0.054 local terms energy: -262.466733 where: bonds (distance) C4'-P energy: -51.078 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -52.303 flat angles P-C4'-P energy: -41.716 tors. eta vs tors. theta energy: -58.200 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: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -796.090630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.090630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.090630 (E_RNA) where: Base-Base interactions energy: -554.424 where: short stacking energy: -238.584 Base-Backbone interact. energy: -1.558 local terms energy: -240.107751 where: bonds (distance) C4'-P energy: -48.392 bonds (distance) P-C4' energy: -52.108 flat angles C4'-P-C4' energy: -54.707 flat angles P-C4'-P energy: -30.353 tors. eta vs tors. theta energy: -54.549 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: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -657.295655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.295655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.295655 (E_RNA) where: Base-Base interactions energy: -431.491 where: short stacking energy: -200.135 Base-Backbone interact. energy: 0.900 local terms energy: -226.704931 where: bonds (distance) C4'-P energy: -46.647 bonds (distance) P-C4' energy: -52.059 flat angles C4'-P-C4' energy: -43.385 flat angles P-C4'-P energy: -36.145 tors. eta vs tors. theta energy: -48.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -663.844810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.844810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.844810 (E_RNA) where: Base-Base interactions energy: -437.023 where: short stacking energy: -187.494 Base-Backbone interact. energy: -0.832 local terms energy: -225.990646 where: bonds (distance) C4'-P energy: -49.866 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -43.391 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -42.514 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: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -526.081966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.081966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.081966 (E_RNA) where: Base-Base interactions energy: -318.437 where: short stacking energy: -155.098 Base-Backbone interact. energy: 0.215 local terms energy: -207.859930 where: bonds (distance) C4'-P energy: -48.041 bonds (distance) P-C4' energy: -49.501 flat angles C4'-P-C4' energy: -49.050 flat angles P-C4'-P energy: -23.779 tors. eta vs tors. theta energy: -37.488 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: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -496.826972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.826972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.826972 (E_RNA) where: Base-Base interactions energy: -308.072 where: short stacking energy: -138.982 Base-Backbone interact. energy: 1.447 local terms energy: -190.202247 where: bonds (distance) C4'-P energy: -47.865 bonds (distance) P-C4' energy: -47.023 flat angles C4'-P-C4' energy: -51.461 flat angles P-C4'-P energy: -27.714 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: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1040.527500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.527500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.527500 (E_RNA) where: Base-Base interactions energy: -743.033 where: short stacking energy: -282.324 Base-Backbone interact. energy: 0.060 local terms energy: -297.555132 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -52.190 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: -72.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -994.641060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.641060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.641060 (E_RNA) where: Base-Base interactions energy: -682.782 where: short stacking energy: -283.524 Base-Backbone interact. energy: -1.460 local terms energy: -310.398603 where: bonds (distance) C4'-P energy: -62.118 bonds (distance) P-C4' energy: -56.056 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -86.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -983.263384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.263384 (E_RNA) where: Base-Base interactions energy: -691.547 where: short stacking energy: -273.612 Base-Backbone interact. energy: -0.072 local terms energy: -291.644339 where: bonds (distance) C4'-P energy: -60.588 bonds (distance) P-C4' energy: -46.402 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -40.418 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: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -932.437542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.437542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.437542 (E_RNA) where: Base-Base interactions energy: -658.840 where: short stacking energy: -275.804 Base-Backbone interact. energy: -1.561 local terms energy: -272.036118 where: bonds (distance) C4'-P energy: -52.841 bonds (distance) P-C4' energy: -50.178 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -34.548 tors. eta vs tors. theta energy: -70.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -825.957225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.957225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.957225 (E_RNA) where: Base-Base interactions energy: -562.719 where: short stacking energy: -240.331 Base-Backbone interact. energy: -3.691 local terms energy: -259.546802 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -52.203 flat angles C4'-P-C4' energy: -61.044 flat angles P-C4'-P energy: -28.679 tors. eta vs tors. theta energy: -61.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -750.857283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.857283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.857283 (E_RNA) where: Base-Base interactions energy: -517.767 where: short stacking energy: -203.061 Base-Backbone interact. energy: -1.474 local terms energy: -231.616056 where: bonds (distance) C4'-P energy: -44.554 bonds (distance) P-C4' energy: -50.149 flat angles C4'-P-C4' energy: -59.632 flat angles P-C4'-P energy: -32.554 tors. eta vs tors. theta energy: -44.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -770.037324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.037324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.037324 (E_RNA) where: Base-Base interactions energy: -504.872 where: short stacking energy: -236.701 Base-Backbone interact. energy: -2.567 local terms energy: -262.597974 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -55.031 flat angles C4'-P-C4' energy: -56.837 flat angles P-C4'-P energy: -31.188 tors. eta vs tors. theta energy: -63.672 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -594.827584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.827584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.827584 (E_RNA) where: Base-Base interactions energy: -388.204 where: short stacking energy: -176.403 Base-Backbone interact. energy: 0.264 local terms energy: -206.887210 where: bonds (distance) C4'-P energy: -43.308 bonds (distance) P-C4' energy: -32.086 flat angles C4'-P-C4' energy: -59.729 flat angles P-C4'-P energy: -39.514 tors. eta vs tors. theta energy: -32.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -507.628214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.628214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.628214 (E_RNA) where: Base-Base interactions energy: -300.040 where: short stacking energy: -161.955 Base-Backbone interact. energy: -1.817 local terms energy: -205.770679 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -52.476 flat angles C4'-P-C4' energy: -47.612 flat angles P-C4'-P energy: -25.338 tors. eta vs tors. theta energy: -24.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -505.046732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.046732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.046732 (E_RNA) where: Base-Base interactions energy: -316.073 where: short stacking energy: -143.645 Base-Backbone interact. energy: -1.908 local terms energy: -187.065596 where: bonds (distance) C4'-P energy: -45.728 bonds (distance) P-C4' energy: -41.655 flat angles C4'-P-C4' energy: -44.903 flat angles P-C4'-P energy: -27.574 tors. eta vs tors. theta energy: -27.205 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: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1035.450864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.450864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.450864 (E_RNA) where: Base-Base interactions energy: -748.369 where: short stacking energy: -286.981 Base-Backbone interact. energy: -0.120 local terms energy: -286.961014 where: bonds (distance) C4'-P energy: -50.762 bonds (distance) P-C4' energy: -60.172 flat angles C4'-P-C4' energy: -57.797 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -73.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1012.591488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.591488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.591488 (E_RNA) where: Base-Base interactions energy: -695.673 where: short stacking energy: -309.100 Base-Backbone interact. energy: -1.052 local terms energy: -315.866856 where: bonds (distance) C4'-P energy: -54.549 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -38.769 tors. eta vs tors. theta energy: -92.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -994.809311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.809311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.809311 (E_RNA) where: Base-Base interactions energy: -694.233 where: short stacking energy: -280.999 Base-Backbone interact. energy: -1.968 local terms energy: -298.608559 where: bonds (distance) C4'-P energy: -61.030 bonds (distance) P-C4' energy: -54.461 flat angles C4'-P-C4' energy: -67.819 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -77.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -938.626930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.626930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.626930 (E_RNA) where: Base-Base interactions energy: -643.010 where: short stacking energy: -278.201 Base-Backbone interact. energy: -1.177 local terms energy: -294.440153 where: bonds (distance) C4'-P energy: -50.619 bonds (distance) P-C4' energy: -63.643 flat angles C4'-P-C4' energy: -58.633 flat angles P-C4'-P energy: -40.405 tors. eta vs tors. theta energy: -81.140 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -857.165808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.165808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.165808 (E_RNA) where: Base-Base interactions energy: -570.072 where: short stacking energy: -254.807 Base-Backbone interact. energy: 0.545 local terms energy: -287.639091 where: bonds (distance) C4'-P energy: -51.364 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -56.785 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -68.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -770.803378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.803378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.803378 (E_RNA) where: Base-Base interactions energy: -522.016 where: short stacking energy: -222.323 Base-Backbone interact. energy: 0.081 local terms energy: -248.868031 where: bonds (distance) C4'-P energy: -52.418 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -53.441 flat angles P-C4'-P energy: -30.170 tors. eta vs tors. theta energy: -54.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -762.623645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.623645 (E_RNA) where: Base-Base interactions energy: -532.071 where: short stacking energy: -203.829 Base-Backbone interact. energy: 2.870 local terms energy: -233.422683 where: bonds (distance) C4'-P energy: -34.601 bonds (distance) P-C4' energy: -56.581 flat angles C4'-P-C4' energy: -56.982 flat angles P-C4'-P energy: -37.845 tors. eta vs tors. theta energy: -47.413 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -604.016226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.016226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.016226 (E_RNA) where: Base-Base interactions energy: -387.455 where: short stacking energy: -176.700 Base-Backbone interact. energy: 0.814 local terms energy: -217.375486 where: bonds (distance) C4'-P energy: -46.062 bonds (distance) P-C4' energy: -48.140 flat angles C4'-P-C4' energy: -51.852 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -30.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -474.300232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.300232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.300232 (E_RNA) where: Base-Base interactions energy: -284.484 where: short stacking energy: -146.547 Base-Backbone interact. energy: -1.518 local terms energy: -188.297994 where: bonds (distance) C4'-P energy: -43.444 bonds (distance) P-C4' energy: -48.623 flat angles C4'-P-C4' energy: -44.620 flat angles P-C4'-P energy: -25.943 tors. eta vs tors. theta energy: -25.668 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: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -453.604074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.604074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.604074 (E_RNA) where: Base-Base interactions energy: -267.830 where: short stacking energy: -121.895 Base-Backbone interact. energy: 0.901 local terms energy: -186.675587 where: bonds (distance) C4'-P energy: -55.121 bonds (distance) P-C4' energy: -45.207 flat angles C4'-P-C4' energy: -50.213 flat angles P-C4'-P energy: -27.976 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1035.567777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.567777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.567777 (E_RNA) where: Base-Base interactions energy: -719.378 where: short stacking energy: -320.998 Base-Backbone interact. energy: -1.940 local terms energy: -314.249805 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -43.041 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: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1038.827391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.827391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.827391 (E_RNA) where: Base-Base interactions energy: -743.394 where: short stacking energy: -288.282 Base-Backbone interact. energy: -1.226 local terms energy: -294.207507 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -38.013 tors. eta vs tors. theta energy: -76.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -996.400575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.400575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.400575 (E_RNA) where: Base-Base interactions energy: -707.900 where: short stacking energy: -277.945 Base-Backbone interact. energy: 0.265 local terms energy: -288.765934 where: bonds (distance) C4'-P energy: -51.257 bonds (distance) P-C4' energy: -57.211 flat angles C4'-P-C4' energy: -64.540 flat angles P-C4'-P energy: -35.183 tors. eta vs tors. theta energy: -80.576 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: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -937.840669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.840669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.840669 (E_RNA) where: Base-Base interactions energy: -653.110 where: short stacking energy: -278.494 Base-Backbone interact. energy: 0.200 local terms energy: -284.930375 where: bonds (distance) C4'-P energy: -56.378 bonds (distance) P-C4' energy: -45.711 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -36.054 tors. eta vs tors. theta energy: -82.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -857.355313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.355313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.355313 (E_RNA) where: Base-Base interactions energy: -572.843 where: short stacking energy: -236.729 Base-Backbone interact. energy: -0.876 local terms energy: -283.635972 where: bonds (distance) C4'-P energy: -52.938 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -57.745 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -69.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -754.889057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.889057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.889057 (E_RNA) where: Base-Base interactions energy: -489.919 where: short stacking energy: -211.594 Base-Backbone interact. energy: -0.584 local terms energy: -264.385770 where: bonds (distance) C4'-P energy: -56.967 bonds (distance) P-C4' energy: -54.024 flat angles C4'-P-C4' energy: -66.848 flat angles P-C4'-P energy: -34.090 tors. eta vs tors. theta energy: -52.458 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: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -738.470346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.470346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.470346 (E_RNA) where: Base-Base interactions energy: -486.178 where: short stacking energy: -202.957 Base-Backbone interact. energy: -1.511 local terms energy: -250.781703 where: bonds (distance) C4'-P energy: -54.765 bonds (distance) P-C4' energy: -57.746 flat angles C4'-P-C4' energy: -48.826 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -52.522 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: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -608.239989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.239989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.239989 (E_RNA) where: Base-Base interactions energy: -409.213 where: short stacking energy: -172.194 Base-Backbone interact. energy: -2.620 local terms energy: -196.407578 where: bonds (distance) C4'-P energy: -35.489 bonds (distance) P-C4' energy: -51.000 flat angles C4'-P-C4' energy: -41.390 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: -27.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -479.385956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.385956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.385956 (E_RNA) where: Base-Base interactions energy: -271.380 where: short stacking energy: -130.561 Base-Backbone interact. energy: -0.452 local terms energy: -207.554188 where: bonds (distance) C4'-P energy: -42.432 bonds (distance) P-C4' energy: -60.030 flat angles C4'-P-C4' energy: -52.578 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: -19.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -495.609025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.609025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.609025 (E_RNA) where: Base-Base interactions energy: -297.930 where: short stacking energy: -149.025 Base-Backbone interact. energy: -0.388 local terms energy: -197.290996 where: bonds (distance) C4'-P energy: -48.702 bonds (distance) P-C4' energy: -43.809 flat angles C4'-P-C4' energy: -50.894 flat angles P-C4'-P energy: -35.095 tors. eta vs tors. theta energy: -18.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1013.361816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.361816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.361816 (E_RNA) where: Base-Base interactions energy: -709.012 where: short stacking energy: -308.970 Base-Backbone interact. energy: -0.458 local terms energy: -303.891829 where: bonds (distance) C4'-P energy: -44.367 bonds (distance) P-C4' energy: -55.981 flat angles C4'-P-C4' energy: -67.210 flat angles P-C4'-P energy: -48.263 tors. eta vs tors. theta energy: -88.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1020.525271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.525271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.525271 (E_RNA) where: Base-Base interactions energy: -725.576 where: short stacking energy: -284.165 Base-Backbone interact. energy: -0.346 local terms energy: -294.603796 where: bonds (distance) C4'-P energy: -52.209 bonds (distance) P-C4' energy: -66.625 flat angles C4'-P-C4' energy: -60.596 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: -75.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -976.853978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.853978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.853978 (E_RNA) where: Base-Base interactions energy: -676.715 where: short stacking energy: -282.588 Base-Backbone interact. energy: -0.975 local terms energy: -299.164100 where: bonds (distance) C4'-P energy: -55.776 bonds (distance) P-C4' energy: -56.384 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -43.846 tors. eta vs tors. theta energy: -78.581 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: 271 Temperature: 1.050000 Total energy: -915.938496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.938496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.938496 (E_RNA) where: Base-Base interactions energy: -617.070 where: short stacking energy: -250.940 Base-Backbone interact. energy: -2.062 local terms energy: -296.805981 where: bonds (distance) C4'-P energy: -54.305 bonds (distance) P-C4' energy: -65.660 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -35.264 tors. eta vs tors. theta energy: -75.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -842.257416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.257416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.257416 (E_RNA) where: Base-Base interactions energy: -591.002 where: short stacking energy: -246.022 Base-Backbone interact. energy: 1.177 local terms energy: -252.432639 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -41.916 flat angles C4'-P-C4' energy: -61.471 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -53.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -788.198842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.198842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.198842 (E_RNA) where: Base-Base interactions energy: -535.887 where: short stacking energy: -230.897 Base-Backbone interact. energy: -1.222 local terms energy: -251.090036 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -60.027 flat angles C4'-P-C4' energy: -51.938 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -53.012 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: 271 Temperature: 1.200000 Total energy: -760.852484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.852484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.852484 (E_RNA) where: Base-Base interactions energy: -516.313 where: short stacking energy: -226.839 Base-Backbone interact. energy: -0.735 local terms energy: -243.804720 where: bonds (distance) C4'-P energy: -44.990 bonds (distance) P-C4' energy: -57.471 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -28.628 tors. eta vs tors. theta energy: -55.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -622.703483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.703483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.703483 (E_RNA) where: Base-Base interactions energy: -404.010 where: short stacking energy: -201.710 Base-Backbone interact. energy: -1.021 local terms energy: -217.672902 where: bonds (distance) C4'-P energy: -42.954 bonds (distance) P-C4' energy: -42.960 flat angles C4'-P-C4' energy: -50.888 flat angles P-C4'-P energy: -36.272 tors. eta vs tors. theta energy: -44.599 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: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -484.534427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.534427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.534427 (E_RNA) where: Base-Base interactions energy: -299.371 where: short stacking energy: -135.589 Base-Backbone interact. energy: -0.689 local terms energy: -184.474296 where: bonds (distance) C4'-P energy: -43.116 bonds (distance) P-C4' energy: -43.255 flat angles C4'-P-C4' energy: -42.126 flat angles P-C4'-P energy: -33.453 tors. eta vs tors. theta energy: -22.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -511.709593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.709593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.709593 (E_RNA) where: Base-Base interactions energy: -299.852 where: short stacking energy: -150.610 Base-Backbone interact. energy: -1.980 local terms energy: -209.877391 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -36.915 flat angles C4'-P-C4' energy: -48.813 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -28.875 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: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1046.846744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.846744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.846744 (E_RNA) where: Base-Base interactions energy: -756.159 where: short stacking energy: -280.105 Base-Backbone interact. energy: 0.089 local terms energy: -290.776683 where: bonds (distance) C4'-P energy: -54.023 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -65.264 flat angles P-C4'-P energy: -42.092 tors. eta vs tors. theta energy: -70.951 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: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1000.279122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.279122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.279122 (E_RNA) where: Base-Base interactions energy: -683.684 where: short stacking energy: -295.150 Base-Backbone interact. energy: -0.768 local terms energy: -315.826739 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -58.843 flat angles C4'-P-C4' energy: -68.106 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -89.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -946.270733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.270733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.270733 (E_RNA) where: Base-Base interactions energy: -653.229 where: short stacking energy: -263.493 Base-Backbone interact. energy: 0.456 local terms energy: -293.496793 where: bonds (distance) C4'-P energy: -54.422 bonds (distance) P-C4' energy: -61.171 flat angles C4'-P-C4' energy: -64.487 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -63.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -931.883042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.883042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.883042 (E_RNA) where: Base-Base interactions energy: -647.012 where: short stacking energy: -274.373 Base-Backbone interact. energy: -2.533 local terms energy: -282.337638 where: bonds (distance) C4'-P energy: -52.719 bonds (distance) P-C4' energy: -49.645 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -79.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -857.289014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.289014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.289014 (E_RNA) where: Base-Base interactions energy: -587.425 where: short stacking energy: -256.706 Base-Backbone interact. energy: -1.553 local terms energy: -268.310387 where: bonds (distance) C4'-P energy: -45.023 bonds (distance) P-C4' energy: -54.795 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -65.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -781.560626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.560626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.560626 (E_RNA) where: Base-Base interactions energy: -533.261 where: short stacking energy: -242.757 Base-Backbone interact. energy: -1.166 local terms energy: -247.132967 where: bonds (distance) C4'-P energy: -50.570 bonds (distance) P-C4' energy: -45.012 flat angles C4'-P-C4' energy: -54.094 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: -60.885 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: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -738.032267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.032267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.032267 (E_RNA) where: Base-Base interactions energy: -502.949 where: short stacking energy: -215.631 Base-Backbone interact. energy: -1.472 local terms energy: -233.611158 where: bonds (distance) C4'-P energy: -42.572 bonds (distance) P-C4' energy: -50.986 flat angles C4'-P-C4' energy: -56.306 flat angles P-C4'-P energy: -31.951 tors. eta vs tors. theta energy: -51.796 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: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -605.043429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.043429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.043429 (E_RNA) where: Base-Base interactions energy: -387.745 where: short stacking energy: -196.264 Base-Backbone interact. energy: 0.332 local terms energy: -217.630430 where: bonds (distance) C4'-P energy: -48.119 bonds (distance) P-C4' energy: -40.454 flat angles C4'-P-C4' energy: -47.065 flat angles P-C4'-P energy: -34.211 tors. eta vs tors. theta energy: -47.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -489.623884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.623884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.623884 (E_RNA) where: Base-Base interactions energy: -281.658 where: short stacking energy: -130.109 Base-Backbone interact. energy: -0.579 local terms energy: -207.386713 where: bonds (distance) C4'-P energy: -57.313 bonds (distance) P-C4' energy: -48.833 flat angles C4'-P-C4' energy: -46.280 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -470.840263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.840263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.840263 (E_RNA) where: Base-Base interactions energy: -282.000 where: short stacking energy: -146.594 Base-Backbone interact. energy: 3.391 local terms energy: -192.231103 where: bonds (distance) C4'-P energy: -46.123 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -50.990 flat angles P-C4'-P energy: -16.769 tors. eta vs tors. theta energy: -24.492 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: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1053.018730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.018730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.018730 (E_RNA) where: Base-Base interactions energy: -755.446 where: short stacking energy: -286.458 Base-Backbone interact. energy: -2.352 local terms energy: -295.220740 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -55.859 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -43.559 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: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1001.868646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.868646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.868646 (E_RNA) where: Base-Base interactions energy: -700.279 where: short stacking energy: -285.761 Base-Backbone interact. energy: -0.768 local terms energy: -300.821636 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -68.314 flat angles P-C4'-P energy: -37.634 tors. eta vs tors. theta energy: -82.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -987.338817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.338817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.338817 (E_RNA) where: Base-Base interactions energy: -674.253 where: short stacking energy: -287.583 Base-Backbone interact. energy: -0.969 local terms energy: -312.117302 where: bonds (distance) C4'-P energy: -59.923 bonds (distance) P-C4' energy: -57.718 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -84.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -930.287860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.287860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.287860 (E_RNA) where: Base-Base interactions energy: -634.747 where: short stacking energy: -263.271 Base-Backbone interact. energy: 0.821 local terms energy: -296.361254 where: bonds (distance) C4'-P energy: -58.295 bonds (distance) P-C4' energy: -47.001 flat angles C4'-P-C4' energy: -66.845 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -79.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -879.175608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.175608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.175608 (E_RNA) where: Base-Base interactions energy: -607.613 where: short stacking energy: -247.584 Base-Backbone interact. energy: -1.496 local terms energy: -270.065661 where: bonds (distance) C4'-P energy: -49.917 bonds (distance) P-C4' energy: -50.450 flat angles C4'-P-C4' energy: -60.548 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -65.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -794.008611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.008611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.008611 (E_RNA) where: Base-Base interactions energy: -532.499 where: short stacking energy: -239.386 Base-Backbone interact. energy: 0.627 local terms energy: -262.137082 where: bonds (distance) C4'-P energy: -44.584 bonds (distance) P-C4' energy: -52.216 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -38.935 tors. eta vs tors. theta energy: -64.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -816.302631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.302631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.302631 (E_RNA) where: Base-Base interactions energy: -559.682 where: short stacking energy: -239.852 Base-Backbone interact. energy: -1.496 local terms energy: -255.124529 where: bonds (distance) C4'-P energy: -54.162 bonds (distance) P-C4' energy: -46.742 flat angles C4'-P-C4' energy: -56.958 flat angles P-C4'-P energy: -35.539 tors. eta vs tors. theta energy: -61.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -615.531323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.531323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.531323 (E_RNA) where: Base-Base interactions energy: -396.677 where: short stacking energy: -185.722 Base-Backbone interact. energy: -2.766 local terms energy: -216.087814 where: bonds (distance) C4'-P energy: -45.025 bonds (distance) P-C4' energy: -56.404 flat angles C4'-P-C4' energy: -50.729 flat angles P-C4'-P energy: -25.702 tors. eta vs tors. theta energy: -38.227 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: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -505.785164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.785164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.785164 (E_RNA) where: Base-Base interactions energy: -295.574 where: short stacking energy: -141.209 Base-Backbone interact. energy: 5.971 local terms energy: -216.182829 where: bonds (distance) C4'-P energy: -52.342 bonds (distance) P-C4' energy: -51.960 flat angles C4'-P-C4' energy: -61.950 flat angles P-C4'-P energy: -35.296 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -477.603110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.603110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.603110 (E_RNA) where: Base-Base interactions energy: -285.487 where: short stacking energy: -127.836 Base-Backbone interact. energy: 2.064 local terms energy: -194.180295 where: bonds (distance) C4'-P energy: -46.523 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -41.021 flat angles P-C4'-P energy: -28.222 tors. eta vs tors. theta energy: -18.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1050.832539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.832539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.832539 (E_RNA) where: Base-Base interactions energy: -747.326 where: short stacking energy: -300.441 Base-Backbone interact. energy: 0.282 local terms energy: -303.789244 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -62.051 flat angles C4'-P-C4' energy: -64.520 flat angles P-C4'-P energy: -43.669 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: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -987.209598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.209598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.209598 (E_RNA) where: Base-Base interactions energy: -687.780 where: short stacking energy: -295.790 Base-Backbone interact. energy: -1.469 local terms energy: -297.960459 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -78.302 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: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -999.360485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.360485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.360485 (E_RNA) where: Base-Base interactions energy: -690.493 where: short stacking energy: -312.285 Base-Backbone interact. energy: -0.149 local terms energy: -308.718651 where: bonds (distance) C4'-P energy: -60.950 bonds (distance) P-C4' energy: -57.561 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -92.544 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: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -945.432501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.432501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.432501 (E_RNA) where: Base-Base interactions energy: -665.804 where: short stacking energy: -263.839 Base-Backbone interact. energy: -1.335 local terms energy: -278.293345 where: bonds (distance) C4'-P energy: -58.597 bonds (distance) P-C4' energy: -55.983 flat angles C4'-P-C4' energy: -52.084 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -76.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -868.763558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.763558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.763558 (E_RNA) where: Base-Base interactions energy: -597.369 where: short stacking energy: -239.755 Base-Backbone interact. energy: 0.488 local terms energy: -271.882868 where: bonds (distance) C4'-P energy: -52.650 bonds (distance) P-C4' energy: -58.541 flat angles C4'-P-C4' energy: -64.947 flat angles P-C4'-P energy: -26.185 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: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -797.544736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.544736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.544736 (E_RNA) where: Base-Base interactions energy: -544.586 where: short stacking energy: -244.698 Base-Backbone interact. energy: 1.973 local terms energy: -254.931981 where: bonds (distance) C4'-P energy: -48.774 bonds (distance) P-C4' energy: -47.396 flat angles C4'-P-C4' energy: -53.994 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -68.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -773.492031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.492031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.492031 (E_RNA) where: Base-Base interactions energy: -520.321 where: short stacking energy: -242.648 Base-Backbone interact. energy: 1.378 local terms energy: -254.549365 where: bonds (distance) C4'-P energy: -46.413 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -58.397 flat angles P-C4'-P energy: -31.079 tors. eta vs tors. theta energy: -59.008 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: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -610.610311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.610311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.610311 (E_RNA) where: Base-Base interactions energy: -394.747 where: short stacking energy: -170.645 Base-Backbone interact. energy: -1.530 local terms energy: -214.332734 where: bonds (distance) C4'-P energy: -53.819 bonds (distance) P-C4' energy: -52.813 flat angles C4'-P-C4' energy: -48.390 flat angles P-C4'-P energy: -27.933 tors. eta vs tors. theta energy: -31.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -509.849836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.849836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.849836 (E_RNA) where: Base-Base interactions energy: -323.294 where: short stacking energy: -149.852 Base-Backbone interact. energy: 1.748 local terms energy: -188.303803 where: bonds (distance) C4'-P energy: -44.009 bonds (distance) P-C4' energy: -46.978 flat angles C4'-P-C4' energy: -45.834 flat angles P-C4'-P energy: -27.738 tors. eta vs tors. theta energy: -23.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -480.492143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.492143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.492143 (E_RNA) where: Base-Base interactions energy: -281.946 where: short stacking energy: -140.197 Base-Backbone interact. energy: -0.271 local terms energy: -198.275214 where: bonds (distance) C4'-P energy: -51.866 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -41.567 flat angles P-C4'-P energy: -22.427 tors. eta vs tors. theta energy: -12.426 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: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1041.666440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.666440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.666440 (E_RNA) where: Base-Base interactions energy: -742.835 where: short stacking energy: -294.844 Base-Backbone interact. energy: -2.653 local terms energy: -296.178219 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -78.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1009.629717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.629717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.629717 (E_RNA) where: Base-Base interactions energy: -701.358 where: short stacking energy: -310.488 Base-Backbone interact. energy: -0.733 local terms energy: -307.538977 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -52.166 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -91.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -980.028368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.028368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.028368 (E_RNA) where: Base-Base interactions energy: -690.917 where: short stacking energy: -287.571 Base-Backbone interact. energy: 0.237 local terms energy: -289.348420 where: bonds (distance) C4'-P energy: -52.955 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -58.562 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -75.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -939.533472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.533472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.533472 (E_RNA) where: Base-Base interactions energy: -656.258 where: short stacking energy: -268.598 Base-Backbone interact. energy: -1.064 local terms energy: -282.211446 where: bonds (distance) C4'-P energy: -61.048 bonds (distance) P-C4' energy: -57.808 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -31.460 tors. eta vs tors. theta energy: -73.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -825.032194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.032194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.032194 (E_RNA) where: Base-Base interactions energy: -563.979 where: short stacking energy: -258.885 Base-Backbone interact. energy: -0.725 local terms energy: -260.328081 where: bonds (distance) C4'-P energy: -51.424 bonds (distance) P-C4' energy: -59.003 flat angles C4'-P-C4' energy: -51.241 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -57.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -775.731835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.731835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.731835 (E_RNA) where: Base-Base interactions energy: -519.754 where: short stacking energy: -222.564 Base-Backbone interact. energy: -0.315 local terms energy: -255.662951 where: bonds (distance) C4'-P energy: -53.804 bonds (distance) P-C4' energy: -47.576 flat angles C4'-P-C4' energy: -56.201 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -58.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -764.093714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.093714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.093714 (E_RNA) where: Base-Base interactions energy: -529.048 where: short stacking energy: -246.645 Base-Backbone interact. energy: 3.483 local terms energy: -238.528456 where: bonds (distance) C4'-P energy: -44.641 bonds (distance) P-C4' energy: -46.292 flat angles C4'-P-C4' energy: -54.672 flat angles P-C4'-P energy: -33.815 tors. eta vs tors. theta energy: -59.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -603.760607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.760607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.760607 (E_RNA) where: Base-Base interactions energy: -388.234 where: short stacking energy: -169.160 Base-Backbone interact. energy: -1.875 local terms energy: -213.651877 where: bonds (distance) C4'-P energy: -39.355 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -33.857 tors. eta vs tors. theta energy: -34.178 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: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -551.439720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.439720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.439720 (E_RNA) where: Base-Base interactions energy: -330.086 where: short stacking energy: -161.142 Base-Backbone interact. energy: -0.614 local terms energy: -220.740449 where: bonds (distance) C4'-P energy: -43.657 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -52.951 flat angles P-C4'-P energy: -31.754 tors. eta vs tors. theta energy: -38.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -463.324951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.324951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.324951 (E_RNA) where: Base-Base interactions energy: -282.018 where: short stacking energy: -139.492 Base-Backbone interact. energy: 1.049 local terms energy: -182.355948 where: bonds (distance) C4'-P energy: -42.583 bonds (distance) P-C4' energy: -47.885 flat angles C4'-P-C4' energy: -46.347 flat angles P-C4'-P energy: -27.758 tors. eta vs tors. theta energy: -17.783 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: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1068.628249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.628249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.628249 (E_RNA) where: Base-Base interactions energy: -747.869 where: short stacking energy: -279.886 Base-Backbone interact. energy: -0.692 local terms energy: -320.067117 where: bonds (distance) C4'-P energy: -61.196 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -78.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -990.746349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.746349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.746349 (E_RNA) where: Base-Base interactions energy: -694.305 where: short stacking energy: -303.654 Base-Backbone interact. energy: 0.579 local terms energy: -297.020508 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -60.031 flat angles C4'-P-C4' energy: -59.168 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: -76.663 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: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -959.913501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.913501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.913501 (E_RNA) where: Base-Base interactions energy: -683.199 where: short stacking energy: -273.144 Base-Backbone interact. energy: 1.071 local terms energy: -277.785751 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -61.721 flat angles P-C4'-P energy: -38.576 tors. eta vs tors. theta energy: -70.281 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: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -946.696251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.696251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.696251 (E_RNA) where: Base-Base interactions energy: -656.713 where: short stacking energy: -287.449 Base-Backbone interact. energy: 0.620 local terms energy: -290.603648 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -52.658 flat angles C4'-P-C4' energy: -66.344 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -76.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -850.746904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.746904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.746904 (E_RNA) where: Base-Base interactions energy: -585.113 where: short stacking energy: -258.410 Base-Backbone interact. energy: -0.736 local terms energy: -264.897964 where: bonds (distance) C4'-P energy: -50.205 bonds (distance) P-C4' energy: -49.629 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -47.087 tors. eta vs tors. theta energy: -59.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -771.306883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.306883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.306883 (E_RNA) where: Base-Base interactions energy: -505.689 where: short stacking energy: -233.697 Base-Backbone interact. energy: -0.712 local terms energy: -264.905277 where: bonds (distance) C4'-P energy: -55.159 bonds (distance) P-C4' energy: -50.438 flat angles C4'-P-C4' energy: -50.452 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -67.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -785.174741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.174741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.174741 (E_RNA) where: Base-Base interactions energy: -539.365 where: short stacking energy: -237.265 Base-Backbone interact. energy: -0.436 local terms energy: -245.373638 where: bonds (distance) C4'-P energy: -49.249 bonds (distance) P-C4' energy: -55.943 flat angles C4'-P-C4' energy: -53.000 flat angles P-C4'-P energy: -24.885 tors. eta vs tors. theta energy: -62.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -607.421983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.421983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.421983 (E_RNA) where: Base-Base interactions energy: -402.674 where: short stacking energy: -187.411 Base-Backbone interact. energy: -0.997 local terms energy: -203.751075 where: bonds (distance) C4'-P energy: -47.454 bonds (distance) P-C4' energy: -43.297 flat angles C4'-P-C4' energy: -40.917 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -33.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -528.260540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.260540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.260540 (E_RNA) where: Base-Base interactions energy: -322.357 where: short stacking energy: -142.892 Base-Backbone interact. energy: -0.363 local terms energy: -205.540444 where: bonds (distance) C4'-P energy: -53.449 bonds (distance) P-C4' energy: -55.258 flat angles C4'-P-C4' energy: -52.916 flat angles P-C4'-P energy: -25.103 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -508.917165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.917165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.917165 (E_RNA) where: Base-Base interactions energy: -311.707 where: short stacking energy: -159.173 Base-Backbone interact. energy: -1.663 local terms energy: -195.546756 where: bonds (distance) C4'-P energy: -39.590 bonds (distance) P-C4' energy: -46.191 flat angles C4'-P-C4' energy: -48.848 flat angles P-C4'-P energy: -27.401 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: 1, replica: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1062.547087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.547087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.547087 (E_RNA) where: Base-Base interactions energy: -751.508 where: short stacking energy: -292.172 Base-Backbone interact. energy: 1.275 local terms energy: -312.313639 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -51.928 flat angles C4'-P-C4' energy: -65.341 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -79.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -961.451963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.451963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.451963 (E_RNA) where: Base-Base interactions energy: -669.795 where: short stacking energy: -267.845 Base-Backbone interact. energy: 1.817 local terms energy: -293.473932 where: bonds (distance) C4'-P energy: -49.262 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -61.362 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -70.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -976.455852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.455852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.455852 (E_RNA) where: Base-Base interactions energy: -680.794 where: short stacking energy: -283.985 Base-Backbone interact. energy: -0.535 local terms energy: -295.126652 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -56.446 flat angles C4'-P-C4' energy: -59.821 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -83.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -936.622977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.622977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.622977 (E_RNA) where: Base-Base interactions energy: -642.655 where: short stacking energy: -260.533 Base-Backbone interact. energy: -0.821 local terms energy: -293.147712 where: bonds (distance) C4'-P energy: -55.907 bonds (distance) P-C4' energy: -55.319 flat angles C4'-P-C4' energy: -62.672 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -79.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -825.744805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.744805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.744805 (E_RNA) where: Base-Base interactions energy: -567.382 where: short stacking energy: -233.724 Base-Backbone interact. energy: -0.816 local terms energy: -257.546223 where: bonds (distance) C4'-P energy: -51.723 bonds (distance) P-C4' energy: -53.915 flat angles C4'-P-C4' energy: -52.687 flat angles P-C4'-P energy: -40.591 tors. eta vs tors. theta energy: -58.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -811.733528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.733528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.733528 (E_RNA) where: Base-Base interactions energy: -541.887 where: short stacking energy: -229.813 Base-Backbone interact. energy: -1.508 local terms energy: -268.339166 where: bonds (distance) C4'-P energy: -50.740 bonds (distance) P-C4' energy: -54.700 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -41.150 tors. eta vs tors. theta energy: -61.027 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: 277 Temperature: 1.200000 Total energy: -716.366363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.366363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.366363 (E_RNA) where: Base-Base interactions energy: -502.068 where: short stacking energy: -204.326 Base-Backbone interact. energy: -1.505 local terms energy: -212.793157 where: bonds (distance) C4'-P energy: -44.509 bonds (distance) P-C4' energy: -54.511 flat angles C4'-P-C4' energy: -40.879 flat angles P-C4'-P energy: -28.930 tors. eta vs tors. theta energy: -43.964 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: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -603.657805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.657805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.657805 (E_RNA) where: Base-Base interactions energy: -376.542 where: short stacking energy: -171.976 Base-Backbone interact. energy: 1.861 local terms energy: -228.976768 where: bonds (distance) C4'-P energy: -44.289 bonds (distance) P-C4' energy: -57.183 flat angles C4'-P-C4' energy: -52.425 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -37.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -490.850898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.850898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.850898 (E_RNA) where: Base-Base interactions energy: -316.148 where: short stacking energy: -165.086 Base-Backbone interact. energy: 2.258 local terms energy: -176.960384 where: bonds (distance) C4'-P energy: -37.709 bonds (distance) P-C4' energy: -42.850 flat angles C4'-P-C4' energy: -44.505 flat angles P-C4'-P energy: -24.149 tors. eta vs tors. theta energy: -27.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -494.380689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.380689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.380689 (E_RNA) where: Base-Base interactions energy: -299.208 where: short stacking energy: -152.941 Base-Backbone interact. energy: -1.158 local terms energy: -194.014380 where: bonds (distance) C4'-P energy: -41.904 bonds (distance) P-C4' energy: -42.199 flat angles C4'-P-C4' energy: -48.859 flat angles P-C4'-P energy: -37.425 tors. eta vs tors. theta energy: -23.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1071.295912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.295912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.295912 (E_RNA) where: Base-Base interactions energy: -766.371 where: short stacking energy: -291.944 Base-Backbone interact. energy: -1.347 local terms energy: -303.577924 where: bonds (distance) C4'-P energy: -52.442 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -40.877 tors. eta vs tors. theta energy: -76.201 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: 278 Temperature: 0.950000 Total energy: -963.426210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.426210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.426210 (E_RNA) where: Base-Base interactions energy: -675.293 where: short stacking energy: -303.565 Base-Backbone interact. energy: -0.540 local terms energy: -287.593018 where: bonds (distance) C4'-P energy: -54.516 bonds (distance) P-C4' energy: -50.712 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -70.653 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: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -982.414700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.414700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.414700 (E_RNA) where: Base-Base interactions energy: -685.028 where: short stacking energy: -295.692 Base-Backbone interact. energy: -0.587 local terms energy: -296.799549 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -49.685 flat angles C4'-P-C4' energy: -66.910 flat angles P-C4'-P energy: -38.904 tors. eta vs tors. theta energy: -80.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -938.539179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.539179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.539179 (E_RNA) where: Base-Base interactions energy: -656.041 where: short stacking energy: -273.162 Base-Backbone interact. energy: -1.107 local terms energy: -281.390636 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -52.702 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: -69.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -854.252105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.252105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.252105 (E_RNA) where: Base-Base interactions energy: -596.213 where: short stacking energy: -264.775 Base-Backbone interact. energy: -1.703 local terms energy: -256.335300 where: bonds (distance) C4'-P energy: -42.729 bonds (distance) P-C4' energy: -48.958 flat angles C4'-P-C4' energy: -61.902 flat angles P-C4'-P energy: -35.052 tors. eta vs tors. theta energy: -67.694 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -801.599636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.599636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.599636 (E_RNA) where: Base-Base interactions energy: -553.394 where: short stacking energy: -225.951 Base-Backbone interact. energy: -1.129 local terms energy: -247.076627 where: bonds (distance) C4'-P energy: -52.723 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -51.206 flat angles P-C4'-P energy: -28.739 tors. eta vs tors. theta energy: -55.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -748.901722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.901722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.901722 (E_RNA) where: Base-Base interactions energy: -513.572 where: short stacking energy: -204.665 Base-Backbone interact. energy: -1.632 local terms energy: -233.697334 where: bonds (distance) C4'-P energy: -49.122 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -53.183 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -39.834 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: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -622.000593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.000593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.000593 (E_RNA) where: Base-Base interactions energy: -392.877 where: short stacking energy: -193.331 Base-Backbone interact. energy: 0.103 local terms energy: -229.226883 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -55.044 flat angles C4'-P-C4' energy: -47.182 flat angles P-C4'-P energy: -36.054 tors. eta vs tors. theta energy: -42.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -516.862343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.862343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.862343 (E_RNA) where: Base-Base interactions energy: -320.582 where: short stacking energy: -148.600 Base-Backbone interact. energy: -2.006 local terms energy: -194.273638 where: bonds (distance) C4'-P energy: -46.166 bonds (distance) P-C4' energy: -54.700 flat angles C4'-P-C4' energy: -48.340 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: -11.819 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: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -455.030452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.030452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.030452 (E_RNA) where: Base-Base interactions energy: -268.475 where: short stacking energy: -131.968 Base-Backbone interact. energy: 0.599 local terms energy: -187.154730 where: bonds (distance) C4'-P energy: -45.732 bonds (distance) P-C4' energy: -45.198 flat angles C4'-P-C4' energy: -38.201 flat angles P-C4'-P energy: -34.945 tors. eta vs tors. theta energy: -23.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1055.811165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.811165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.811165 (E_RNA) where: Base-Base interactions energy: -751.130 where: short stacking energy: -286.780 Base-Backbone interact. energy: -0.786 local terms energy: -303.895493 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -54.031 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -43.042 tors. eta vs tors. theta energy: -77.300 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: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -988.985420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.985420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.985420 (E_RNA) where: Base-Base interactions energy: -683.035 where: short stacking energy: -281.237 Base-Backbone interact. energy: -1.350 local terms energy: -304.599800 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -54.550 flat angles C4'-P-C4' energy: -71.071 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -72.248 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: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -963.835320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.835320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.835320 (E_RNA) where: Base-Base interactions energy: -668.460 where: short stacking energy: -283.530 Base-Backbone interact. energy: -0.612 local terms energy: -294.763561 where: bonds (distance) C4'-P energy: -51.827 bonds (distance) P-C4' energy: -55.790 flat angles C4'-P-C4' energy: -59.094 flat angles P-C4'-P energy: -39.938 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: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -933.390985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.390985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.390985 (E_RNA) where: Base-Base interactions energy: -664.997 where: short stacking energy: -270.432 Base-Backbone interact. energy: -3.037 local terms energy: -265.356535 where: bonds (distance) C4'-P energy: -61.837 bonds (distance) P-C4' energy: -48.197 flat angles C4'-P-C4' energy: -57.537 flat angles P-C4'-P energy: -26.780 tors. eta vs tors. theta energy: -71.005 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: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -833.556470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.556470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.556470 (E_RNA) where: Base-Base interactions energy: -558.580 where: short stacking energy: -240.363 Base-Backbone interact. energy: -0.903 local terms energy: -274.073699 where: bonds (distance) C4'-P energy: -54.893 bonds (distance) P-C4' energy: -62.434 flat angles C4'-P-C4' energy: -57.711 flat angles P-C4'-P energy: -38.076 tors. eta vs tors. theta energy: -60.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -809.742246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.742246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.742246 (E_RNA) where: Base-Base interactions energy: -556.011 where: short stacking energy: -246.969 Base-Backbone interact. energy: -1.481 local terms energy: -252.250363 where: bonds (distance) C4'-P energy: -45.729 bonds (distance) P-C4' energy: -51.895 flat angles C4'-P-C4' energy: -53.288 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -71.100 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: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -739.686322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.686322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.686322 (E_RNA) where: Base-Base interactions energy: -479.844 where: short stacking energy: -212.210 Base-Backbone interact. energy: -0.475 local terms energy: -259.367594 where: bonds (distance) C4'-P energy: -49.447 bonds (distance) P-C4' energy: -63.570 flat angles C4'-P-C4' energy: -49.580 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -56.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -589.167422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.167422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.167422 (E_RNA) where: Base-Base interactions energy: -383.315 where: short stacking energy: -177.422 Base-Backbone interact. energy: 1.402 local terms energy: -207.254771 where: bonds (distance) C4'-P energy: -45.173 bonds (distance) P-C4' energy: -42.680 flat angles C4'-P-C4' energy: -48.085 flat angles P-C4'-P energy: -27.867 tors. eta vs tors. theta energy: -43.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -526.681460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.681460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.681460 (E_RNA) where: Base-Base interactions energy: -332.180 where: short stacking energy: -152.175 Base-Backbone interact. energy: 2.925 local terms energy: -197.425941 where: bonds (distance) C4'-P energy: -59.147 bonds (distance) P-C4' energy: -48.281 flat angles C4'-P-C4' energy: -41.377 flat angles P-C4'-P energy: -30.012 tors. eta vs tors. theta energy: -18.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -430.916712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.916712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.916712 (E_RNA) where: Base-Base interactions energy: -259.853 where: short stacking energy: -119.443 Base-Backbone interact. energy: 5.278 local terms energy: -176.342407 where: bonds (distance) C4'-P energy: -53.613 bonds (distance) P-C4' energy: -42.746 flat angles C4'-P-C4' energy: -48.243 flat angles P-C4'-P energy: -26.538 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1052.112652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.112652 (E_RNA) where: Base-Base interactions energy: -744.968 where: short stacking energy: -286.838 Base-Backbone interact. energy: -1.358 local terms energy: -305.785931 where: bonds (distance) C4'-P energy: -54.264 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -42.702 tors. eta vs tors. theta energy: -81.376 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: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -988.310757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.310757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.310757 (E_RNA) where: Base-Base interactions energy: -698.729 where: short stacking energy: -288.762 Base-Backbone interact. energy: 0.479 local terms energy: -290.060735 where: bonds (distance) C4'-P energy: -50.228 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -40.692 tors. eta vs tors. theta energy: -75.325 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: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -970.147111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.147111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.147111 (E_RNA) where: Base-Base interactions energy: -673.413 where: short stacking energy: -291.956 Base-Backbone interact. energy: -2.003 local terms energy: -294.731094 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -48.655 flat angles C4'-P-C4' energy: -64.465 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -78.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -937.424367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.424367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.424367 (E_RNA) where: Base-Base interactions energy: -646.994 where: short stacking energy: -267.651 Base-Backbone interact. energy: -1.172 local terms energy: -289.258781 where: bonds (distance) C4'-P energy: -48.709 bonds (distance) P-C4' energy: -50.813 flat angles C4'-P-C4' energy: -66.710 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -76.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -817.979483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.979483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.979483 (E_RNA) where: Base-Base interactions energy: -555.003 where: short stacking energy: -236.221 Base-Backbone interact. energy: 0.262 local terms energy: -263.238546 where: bonds (distance) C4'-P energy: -53.700 bonds (distance) P-C4' energy: -52.709 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -35.262 tors. eta vs tors. theta energy: -60.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -793.386255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.386255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.386255 (E_RNA) where: Base-Base interactions energy: -528.979 where: short stacking energy: -232.281 Base-Backbone interact. energy: 1.840 local terms energy: -266.247664 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -59.452 flat angles P-C4'-P energy: -32.767 tors. eta vs tors. theta energy: -53.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -723.280653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.280653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.280653 (E_RNA) where: Base-Base interactions energy: -470.189 where: short stacking energy: -213.802 Base-Backbone interact. energy: -2.034 local terms energy: -251.058342 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -39.507 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -46.272 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -581.696969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.696969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.696969 (E_RNA) where: Base-Base interactions energy: -360.858 where: short stacking energy: -160.459 Base-Backbone interact. energy: 1.335 local terms energy: -222.173505 where: bonds (distance) C4'-P energy: -48.506 bonds (distance) P-C4' energy: -48.747 flat angles C4'-P-C4' energy: -50.935 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -38.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -455.187122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.187122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.187122 (E_RNA) where: Base-Base interactions energy: -266.327 where: short stacking energy: -134.985 Base-Backbone interact. energy: 0.315 local terms energy: -189.174749 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -47.408 flat angles C4'-P-C4' energy: -41.406 flat angles P-C4'-P energy: -28.395 tors. eta vs tors. theta energy: -23.422 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: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -437.677016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.677016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.677016 (E_RNA) where: Base-Base interactions energy: -276.636 where: short stacking energy: -125.231 Base-Backbone interact. energy: 5.718 local terms energy: -166.759208 where: bonds (distance) C4'-P energy: -47.576 bonds (distance) P-C4' energy: -49.329 flat angles C4'-P-C4' energy: -50.179 flat angles P-C4'-P energy: -17.040 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1048.571387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.571387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.571387 (E_RNA) where: Base-Base interactions energy: -748.582 where: short stacking energy: -288.833 Base-Backbone interact. energy: -1.267 local terms energy: -298.722405 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -56.618 flat angles C4'-P-C4' energy: -64.700 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -72.642 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: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -985.062821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.062821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.062821 (E_RNA) where: Base-Base interactions energy: -684.489 where: short stacking energy: -282.262 Base-Backbone interact. energy: -1.082 local terms energy: -299.491729 where: bonds (distance) C4'-P energy: -62.851 bonds (distance) P-C4' energy: -58.239 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -41.542 tors. eta vs tors. theta energy: -67.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -970.595803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.595803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.595803 (E_RNA) where: Base-Base interactions energy: -684.019 where: short stacking energy: -285.272 Base-Backbone interact. energy: -0.879 local terms energy: -285.697904 where: bonds (distance) C4'-P energy: -52.611 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: -79.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -915.725266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.725266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.725266 (E_RNA) where: Base-Base interactions energy: -642.162 where: short stacking energy: -265.107 Base-Backbone interact. energy: 2.638 local terms energy: -276.201637 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -54.410 flat angles C4'-P-C4' energy: -59.737 flat angles P-C4'-P energy: -35.933 tors. eta vs tors. theta energy: -69.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -820.343675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.343675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.343675 (E_RNA) where: Base-Base interactions energy: -557.477 where: short stacking energy: -209.950 Base-Backbone interact. energy: 0.502 local terms energy: -263.367860 where: bonds (distance) C4'-P energy: -42.868 bonds (distance) P-C4' energy: -60.682 flat angles C4'-P-C4' energy: -64.229 flat angles P-C4'-P energy: -43.135 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: 6, replica: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -780.159920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.159920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.159920 (E_RNA) where: Base-Base interactions energy: -532.358 where: short stacking energy: -233.465 Base-Backbone interact. energy: -1.141 local terms energy: -246.661499 where: bonds (distance) C4'-P energy: -46.065 bonds (distance) P-C4' energy: -51.605 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -31.635 tors. eta vs tors. theta energy: -56.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -705.585269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.585269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.585269 (E_RNA) where: Base-Base interactions energy: -480.305 where: short stacking energy: -215.891 Base-Backbone interact. energy: -0.110 local terms energy: -225.170577 where: bonds (distance) C4'-P energy: -38.182 bonds (distance) P-C4' energy: -48.915 flat angles C4'-P-C4' energy: -41.071 flat angles P-C4'-P energy: -40.263 tors. eta vs tors. theta energy: -56.740 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: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -594.351327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.351327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.351327 (E_RNA) where: Base-Base interactions energy: -386.077 where: short stacking energy: -179.294 Base-Backbone interact. energy: 0.778 local terms energy: -209.051590 where: bonds (distance) C4'-P energy: -50.059 bonds (distance) P-C4' energy: -42.334 flat angles C4'-P-C4' energy: -43.857 flat angles P-C4'-P energy: -44.127 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: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -477.831627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.831627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.831627 (E_RNA) where: Base-Base interactions energy: -277.215 where: short stacking energy: -144.097 Base-Backbone interact. energy: -0.191 local terms energy: -200.424932 where: bonds (distance) C4'-P energy: -49.358 bonds (distance) P-C4' energy: -53.578 flat angles C4'-P-C4' energy: -46.346 flat angles P-C4'-P energy: -33.417 tors. eta vs tors. theta energy: -17.727 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: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -436.177068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.177068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.177068 (E_RNA) where: Base-Base interactions energy: -236.835 where: short stacking energy: -123.477 Base-Backbone interact. energy: 1.550 local terms energy: -200.892690 where: bonds (distance) C4'-P energy: -47.081 bonds (distance) P-C4' energy: -54.244 flat angles C4'-P-C4' energy: -52.181 flat angles P-C4'-P energy: -29.061 tors. eta vs tors. theta energy: -18.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1046.023044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.023044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.023044 (E_RNA) where: Base-Base interactions energy: -738.731 where: short stacking energy: -290.797 Base-Backbone interact. energy: -0.207 local terms energy: -307.085601 where: bonds (distance) C4'-P energy: -56.082 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -47.018 tors. eta vs tors. theta energy: -74.450 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: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1002.511304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.511304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.511304 (E_RNA) where: Base-Base interactions energy: -691.901 where: short stacking energy: -277.227 Base-Backbone interact. energy: -2.047 local terms energy: -308.563433 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -60.154 flat angles C4'-P-C4' energy: -61.547 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -83.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -971.950756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.950756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.950756 (E_RNA) where: Base-Base interactions energy: -685.362 where: short stacking energy: -278.586 Base-Backbone interact. energy: -1.308 local terms energy: -285.280947 where: bonds (distance) C4'-P energy: -54.234 bonds (distance) P-C4' energy: -53.838 flat angles C4'-P-C4' energy: -62.675 flat angles P-C4'-P energy: -31.863 tors. eta vs tors. theta energy: -82.671 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: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -948.486936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.486936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.486936 (E_RNA) where: Base-Base interactions energy: -659.421 where: short stacking energy: -271.681 Base-Backbone interact. energy: 0.101 local terms energy: -289.166608 where: bonds (distance) C4'-P energy: -53.295 bonds (distance) P-C4' energy: -63.880 flat angles C4'-P-C4' energy: -58.618 flat angles P-C4'-P energy: -42.819 tors. eta vs tors. theta energy: -70.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -835.261826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.261826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.261826 (E_RNA) where: Base-Base interactions energy: -567.546 where: short stacking energy: -241.992 Base-Backbone interact. energy: -2.164 local terms energy: -265.551523 where: bonds (distance) C4'-P energy: -57.239 bonds (distance) P-C4' energy: -57.406 flat angles C4'-P-C4' energy: -53.166 flat angles P-C4'-P energy: -28.751 tors. eta vs tors. theta energy: -68.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -763.286979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.286979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.286979 (E_RNA) where: Base-Base interactions energy: -500.958 where: short stacking energy: -218.062 Base-Backbone interact. energy: -1.453 local terms energy: -260.875940 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -55.432 flat angles C4'-P-C4' energy: -46.854 flat angles P-C4'-P energy: -39.226 tors. eta vs tors. theta energy: -52.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -726.128616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.128616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.128616 (E_RNA) where: Base-Base interactions energy: -478.128 where: short stacking energy: -189.717 Base-Backbone interact. energy: 0.970 local terms energy: -248.971156 where: bonds (distance) C4'-P energy: -57.027 bonds (distance) P-C4' energy: -53.961 flat angles C4'-P-C4' energy: -55.726 flat angles P-C4'-P energy: -35.148 tors. eta vs tors. theta energy: -47.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -635.735322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.735322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.735322 (E_RNA) where: Base-Base interactions energy: -416.853 where: short stacking energy: -185.243 Base-Backbone interact. energy: -0.331 local terms energy: -218.550909 where: bonds (distance) C4'-P energy: -52.491 bonds (distance) P-C4' energy: -46.617 flat angles C4'-P-C4' energy: -40.833 flat angles P-C4'-P energy: -28.987 tors. eta vs tors. theta energy: -49.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -476.317861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.317861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.317861 (E_RNA) where: Base-Base interactions energy: -293.665 where: short stacking energy: -123.932 Base-Backbone interact. energy: -0.650 local terms energy: -182.002548 where: bonds (distance) C4'-P energy: -42.555 bonds (distance) P-C4' energy: -52.035 flat angles C4'-P-C4' energy: -43.681 flat angles P-C4'-P energy: -32.777 tors. eta vs tors. theta energy: -10.955 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: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -444.669407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.669407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.669407 (E_RNA) where: Base-Base interactions energy: -253.071 where: short stacking energy: -124.441 Base-Backbone interact. energy: -0.802 local terms energy: -190.796492 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -45.965 flat angles C4'-P-C4' energy: -46.358 flat angles P-C4'-P energy: -29.195 tors. eta vs tors. theta energy: -17.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1056.200662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.200662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.200662 (E_RNA) where: Base-Base interactions energy: -753.606 where: short stacking energy: -299.138 Base-Backbone interact. energy: -0.151 local terms energy: -302.443155 where: bonds (distance) C4'-P energy: -53.995 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -63.415 flat angles P-C4'-P energy: -47.541 tors. eta vs tors. theta energy: -75.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -974.842741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.842741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.842741 (E_RNA) where: Base-Base interactions energy: -670.328 where: short stacking energy: -281.815 Base-Backbone interact. energy: -1.241 local terms energy: -303.273356 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -85.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -975.133230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.133230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.133230 (E_RNA) where: Base-Base interactions energy: -696.168 where: short stacking energy: -273.405 Base-Backbone interact. energy: 2.071 local terms energy: -281.036728 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -56.721 flat angles C4'-P-C4' energy: -60.153 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: -75.073 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: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -954.613333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.613333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.613333 (E_RNA) where: Base-Base interactions energy: -652.340 where: short stacking energy: -285.910 Base-Backbone interact. energy: -2.053 local terms energy: -300.220364 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -51.432 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -39.648 tors. eta vs tors. theta energy: -84.886 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: 283 Temperature: 1.100000 Total energy: -825.289446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.289446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.289446 (E_RNA) where: Base-Base interactions energy: -552.648 where: short stacking energy: -240.974 Base-Backbone interact. energy: -1.335 local terms energy: -271.306279 where: bonds (distance) C4'-P energy: -48.094 bonds (distance) P-C4' energy: -61.323 flat angles C4'-P-C4' energy: -57.534 flat angles P-C4'-P energy: -40.271 tors. eta vs tors. theta energy: -64.084 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: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -784.789864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.789864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.789864 (E_RNA) where: Base-Base interactions energy: -524.350 where: short stacking energy: -219.853 Base-Backbone interact. energy: -0.561 local terms energy: -259.878701 where: bonds (distance) C4'-P energy: -51.460 bonds (distance) P-C4' energy: -61.165 flat angles C4'-P-C4' energy: -59.463 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -52.134 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: 283 Temperature: 1.200000 Total energy: -742.844519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.844519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.844519 (E_RNA) where: Base-Base interactions energy: -501.424 where: short stacking energy: -221.543 Base-Backbone interact. energy: 1.834 local terms energy: -243.254011 where: bonds (distance) C4'-P energy: -49.956 bonds (distance) P-C4' energy: -52.549 flat angles C4'-P-C4' energy: -55.521 flat angles P-C4'-P energy: -33.876 tors. eta vs tors. theta energy: -51.351 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: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -650.691163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.691163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.691163 (E_RNA) where: Base-Base interactions energy: -431.897 where: short stacking energy: -202.136 Base-Backbone interact. energy: 1.127 local terms energy: -219.920945 where: bonds (distance) C4'-P energy: -41.584 bonds (distance) P-C4' energy: -50.358 flat angles C4'-P-C4' energy: -49.311 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: -43.017 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -469.802420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.802420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.802420 (E_RNA) where: Base-Base interactions energy: -289.316 where: short stacking energy: -137.283 Base-Backbone interact. energy: -2.382 local terms energy: -178.103563 where: bonds (distance) C4'-P energy: -42.388 bonds (distance) P-C4' energy: -52.781 flat angles C4'-P-C4' energy: -49.247 flat angles P-C4'-P energy: -24.631 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -431.810445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.810445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.810445 (E_RNA) where: Base-Base interactions energy: -277.569 where: short stacking energy: -126.160 Base-Backbone interact. energy: -0.074 local terms energy: -154.167364 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -43.783 flat angles C4'-P-C4' energy: -31.498 flat angles P-C4'-P energy: -17.629 tors. eta vs tors. theta energy: -11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1074.745768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.745768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.745768 (E_RNA) where: Base-Base interactions energy: -751.873 where: short stacking energy: -307.576 Base-Backbone interact. energy: -1.309 local terms energy: -321.564523 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -69.166 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -84.249 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: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -990.761789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.761789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.761789 (E_RNA) where: Base-Base interactions energy: -688.639 where: short stacking energy: -296.740 Base-Backbone interact. energy: 0.620 local terms energy: -302.743345 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -62.581 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: -82.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -978.898164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.898164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.898164 (E_RNA) where: Base-Base interactions energy: -684.178 where: short stacking energy: -305.906 Base-Backbone interact. energy: -0.834 local terms energy: -293.885946 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -52.759 flat angles C4'-P-C4' energy: -65.131 flat angles P-C4'-P energy: -43.223 tors. eta vs tors. theta energy: -79.583 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: 284 Temperature: 1.050000 Total energy: -952.599042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.599042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.599042 (E_RNA) where: Base-Base interactions energy: -676.407 where: short stacking energy: -288.441 Base-Backbone interact. energy: 0.103 local terms energy: -276.294865 where: bonds (distance) C4'-P energy: -39.047 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -40.855 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: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -853.781427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.781427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.781427 (E_RNA) where: Base-Base interactions energy: -586.015 where: short stacking energy: -260.799 Base-Backbone interact. energy: -0.339 local terms energy: -267.427668 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -57.433 flat angles P-C4'-P energy: -38.649 tors. eta vs tors. theta energy: -66.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -760.676688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.676688 (E_RNA) where: Base-Base interactions energy: -519.588 where: short stacking energy: -205.590 Base-Backbone interact. energy: 0.092 local terms energy: -241.180778 where: bonds (distance) C4'-P energy: -46.613 bonds (distance) P-C4' energy: -55.805 flat angles C4'-P-C4' energy: -58.705 flat angles P-C4'-P energy: -35.664 tors. eta vs tors. theta energy: -44.394 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: 284 Temperature: 1.200000 Total energy: -763.510134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.510134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.510134 (E_RNA) where: Base-Base interactions energy: -520.859 where: short stacking energy: -208.530 Base-Backbone interact. energy: -1.638 local terms energy: -241.012701 where: bonds (distance) C4'-P energy: -50.771 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -55.586 flat angles P-C4'-P energy: -26.986 tors. eta vs tors. theta energy: -52.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -639.210858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.210858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.210858 (E_RNA) where: Base-Base interactions energy: -399.976 where: short stacking energy: -182.900 Base-Backbone interact. energy: -0.498 local terms energy: -238.736957 where: bonds (distance) C4'-P energy: -53.464 bonds (distance) P-C4' energy: -52.302 flat angles C4'-P-C4' energy: -55.464 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -41.502 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: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -500.958712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.958712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.958712 (E_RNA) where: Base-Base interactions energy: -312.741 where: short stacking energy: -159.719 Base-Backbone interact. energy: 0.394 local terms energy: -188.612211 where: bonds (distance) C4'-P energy: -44.179 bonds (distance) P-C4' energy: -49.126 flat angles C4'-P-C4' energy: -47.322 flat angles P-C4'-P energy: -28.682 tors. eta vs tors. theta energy: -19.304 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -457.163746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.163746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.163746 (E_RNA) where: Base-Base interactions energy: -269.493 where: short stacking energy: -127.442 Base-Backbone interact. energy: -1.056 local terms energy: -186.614847 where: bonds (distance) C4'-P energy: -43.107 bonds (distance) P-C4' energy: -49.149 flat angles C4'-P-C4' energy: -53.051 flat angles P-C4'-P energy: -19.739 tors. eta vs tors. theta energy: -21.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1050.578840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.578840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.578840 (E_RNA) where: Base-Base interactions energy: -736.049 where: short stacking energy: -291.963 Base-Backbone interact. energy: -0.814 local terms energy: -313.716705 where: bonds (distance) C4'-P energy: -54.500 bonds (distance) P-C4' energy: -63.725 flat angles C4'-P-C4' energy: -71.866 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -78.479 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: 285 Temperature: 0.950000 Total energy: -976.370012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.370012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.370012 (E_RNA) where: Base-Base interactions energy: -684.055 where: short stacking energy: -304.795 Base-Backbone interact. energy: -0.807 local terms energy: -291.508610 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -47.284 flat angles C4'-P-C4' energy: -59.280 flat angles P-C4'-P energy: -37.962 tors. eta vs tors. theta energy: -86.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -976.645777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.645777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.645777 (E_RNA) where: Base-Base interactions energy: -680.156 where: short stacking energy: -278.917 Base-Backbone interact. energy: -1.214 local terms energy: -295.275384 where: bonds (distance) C4'-P energy: -47.082 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -59.176 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -77.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -908.993327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.993327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.993327 (E_RNA) where: Base-Base interactions energy: -635.845 where: short stacking energy: -264.501 Base-Backbone interact. energy: 2.305 local terms energy: -275.452939 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -48.286 flat angles C4'-P-C4' energy: -58.737 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -66.011 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: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -855.728503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.728503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.728503 (E_RNA) where: Base-Base interactions energy: -584.752 where: short stacking energy: -259.573 Base-Backbone interact. energy: 1.622 local terms energy: -272.598834 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -52.633 flat angles C4'-P-C4' energy: -56.217 flat angles P-C4'-P energy: -37.618 tors. eta vs tors. theta energy: -72.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -763.329308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.329308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.329308 (E_RNA) where: Base-Base interactions energy: -526.824 where: short stacking energy: -223.152 Base-Backbone interact. energy: -0.981 local terms energy: -235.524594 where: bonds (distance) C4'-P energy: -44.610 bonds (distance) P-C4' energy: -47.136 flat angles C4'-P-C4' energy: -58.522 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: -50.830 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -733.286041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.286041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.286041 (E_RNA) where: Base-Base interactions energy: -506.243 where: short stacking energy: -227.746 Base-Backbone interact. energy: 1.682 local terms energy: -228.724898 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -44.500 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -28.474 tors. eta vs tors. theta energy: -49.325 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: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -659.112474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.112474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.112474 (E_RNA) where: Base-Base interactions energy: -415.355 where: short stacking energy: -190.524 Base-Backbone interact. energy: -0.648 local terms energy: -243.108888 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -48.554 flat angles P-C4'-P energy: -34.992 tors. eta vs tors. theta energy: -48.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -502.302121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.302121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.302121 (E_RNA) where: Base-Base interactions energy: -307.273 where: short stacking energy: -152.200 Base-Backbone interact. energy: 0.744 local terms energy: -195.773742 where: bonds (distance) C4'-P energy: -42.649 bonds (distance) P-C4' energy: -47.007 flat angles C4'-P-C4' energy: -44.889 flat angles P-C4'-P energy: -32.771 tors. eta vs tors. theta energy: -28.456 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: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -484.608016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.608016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.608016 (E_RNA) where: Base-Base interactions energy: -283.273 where: short stacking energy: -141.537 Base-Backbone interact. energy: -1.147 local terms energy: -200.187252 where: bonds (distance) C4'-P energy: -57.925 bonds (distance) P-C4' energy: -40.603 flat angles C4'-P-C4' energy: -47.001 flat angles P-C4'-P energy: -34.053 tors. eta vs tors. theta energy: -20.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1063.911514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.911514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.911514 (E_RNA) where: Base-Base interactions energy: -750.418 where: short stacking energy: -307.704 Base-Backbone interact. energy: 0.145 local terms energy: -313.639073 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -61.490 flat angles C4'-P-C4' energy: -74.461 flat angles P-C4'-P energy: -39.641 tors. eta vs tors. theta energy: -85.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -981.207089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.207089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.207089 (E_RNA) where: Base-Base interactions energy: -667.829 where: short stacking energy: -283.351 Base-Backbone interact. energy: -0.424 local terms energy: -312.954423 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: -77.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -973.559982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.559982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.559982 (E_RNA) where: Base-Base interactions energy: -677.569 where: short stacking energy: -286.534 Base-Backbone interact. energy: -0.156 local terms energy: -295.834423 where: bonds (distance) C4'-P energy: -49.870 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -40.938 tors. eta vs tors. theta energy: -77.974 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -943.232294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.232294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.232294 (E_RNA) where: Base-Base interactions energy: -652.881 where: short stacking energy: -263.394 Base-Backbone interact. energy: -0.574 local terms energy: -289.776907 where: bonds (distance) C4'-P energy: -50.837 bonds (distance) P-C4' energy: -65.187 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -34.923 tors. eta vs tors. theta energy: -72.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -842.184741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.184741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.184741 (E_RNA) where: Base-Base interactions energy: -571.234 where: short stacking energy: -241.620 Base-Backbone interact. energy: -0.612 local terms energy: -270.338355 where: bonds (distance) C4'-P energy: -46.135 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -58.341 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -63.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -808.373366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.373366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.373366 (E_RNA) where: Base-Base interactions energy: -538.988 where: short stacking energy: -239.241 Base-Backbone interact. energy: 0.005 local terms energy: -269.390904 where: bonds (distance) C4'-P energy: -63.542 bonds (distance) P-C4' energy: -53.098 flat angles C4'-P-C4' energy: -50.481 flat angles P-C4'-P energy: -34.657 tors. eta vs tors. theta energy: -67.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -693.864158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.864158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.864158 (E_RNA) where: Base-Base interactions energy: -465.797 where: short stacking energy: -215.522 Base-Backbone interact. energy: 0.728 local terms energy: -228.795105 where: bonds (distance) C4'-P energy: -46.331 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -47.650 flat angles P-C4'-P energy: -30.297 tors. eta vs tors. theta energy: -50.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -631.447779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.447779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.447779 (E_RNA) where: Base-Base interactions energy: -387.378 where: short stacking energy: -185.746 Base-Backbone interact. energy: -0.801 local terms energy: -243.269218 where: bonds (distance) C4'-P energy: -47.877 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -59.398 flat angles P-C4'-P energy: -28.107 tors. eta vs tors. theta energy: -49.245 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -482.951587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.951587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.951587 (E_RNA) where: Base-Base interactions energy: -298.951 where: short stacking energy: -140.392 Base-Backbone interact. energy: -0.808 local terms energy: -183.192708 where: bonds (distance) C4'-P energy: -40.109 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -22.988 tors. eta vs tors. theta energy: -15.216 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: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -475.020176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.020176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.020176 (E_RNA) where: Base-Base interactions energy: -291.859 where: short stacking energy: -130.224 Base-Backbone interact. energy: 1.620 local terms energy: -184.781684 where: bonds (distance) C4'-P energy: -29.551 bonds (distance) P-C4' energy: -47.730 flat angles C4'-P-C4' energy: -58.520 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -10.295 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: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1059.748637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.748637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.748637 (E_RNA) where: Base-Base interactions energy: -753.311 where: short stacking energy: -306.075 Base-Backbone interact. energy: -1.787 local terms energy: -304.650099 where: bonds (distance) C4'-P energy: -59.945 bonds (distance) P-C4' energy: -51.100 flat angles C4'-P-C4' energy: -66.588 flat angles P-C4'-P energy: -50.439 tors. eta vs tors. theta energy: -76.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1003.466798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.466798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.466798 (E_RNA) where: Base-Base interactions energy: -708.196 where: short stacking energy: -295.323 Base-Backbone interact. energy: -0.242 local terms energy: -295.028604 where: bonds (distance) C4'-P energy: -44.243 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -67.590 flat angles P-C4'-P energy: -42.678 tors. eta vs tors. theta energy: -79.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -958.232715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.232715 (E_RNA) where: Base-Base interactions energy: -677.245 where: short stacking energy: -283.687 Base-Backbone interact. energy: 0.157 local terms energy: -281.145393 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -45.092 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -35.288 tors. eta vs tors. theta energy: -83.483 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: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -948.866747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.866747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.866747 (E_RNA) where: Base-Base interactions energy: -668.470 where: short stacking energy: -288.408 Base-Backbone interact. energy: -1.293 local terms energy: -279.104107 where: bonds (distance) C4'-P energy: -47.852 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -61.135 flat angles P-C4'-P energy: -33.903 tors. eta vs tors. theta energy: -79.978 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: 287 Temperature: 1.100000 Total energy: -841.030388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.030388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.030388 (E_RNA) where: Base-Base interactions energy: -585.273 where: short stacking energy: -232.775 Base-Backbone interact. energy: 0.090 local terms energy: -255.847746 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -54.035 flat angles C4'-P-C4' energy: -63.541 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -53.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -764.351261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.351261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.351261 (E_RNA) where: Base-Base interactions energy: -503.104 where: short stacking energy: -221.010 Base-Backbone interact. energy: -1.180 local terms energy: -260.066379 where: bonds (distance) C4'-P energy: -54.137 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -57.788 flat angles P-C4'-P energy: -42.261 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: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -710.729891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.729891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.729891 (E_RNA) where: Base-Base interactions energy: -472.567 where: short stacking energy: -211.650 Base-Backbone interact. energy: -0.548 local terms energy: -237.614781 where: bonds (distance) C4'-P energy: -45.540 bonds (distance) P-C4' energy: -52.314 flat angles C4'-P-C4' energy: -47.302 flat angles P-C4'-P energy: -41.425 tors. eta vs tors. theta energy: -51.034 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: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -638.078487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.078487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.078487 (E_RNA) where: Base-Base interactions energy: -429.162 where: short stacking energy: -179.122 Base-Backbone interact. energy: -0.067 local terms energy: -208.849801 where: bonds (distance) C4'-P energy: -36.193 bonds (distance) P-C4' energy: -53.192 flat angles C4'-P-C4' energy: -58.672 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -35.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -490.064166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.064166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.064166 (E_RNA) where: Base-Base interactions energy: -302.741 where: short stacking energy: -137.955 Base-Backbone interact. energy: -0.015 local terms energy: -187.308291 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -53.031 flat angles C4'-P-C4' energy: -28.709 flat angles P-C4'-P energy: -28.194 tors. eta vs tors. theta energy: -21.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -462.732567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.732567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.732567 (E_RNA) where: Base-Base interactions energy: -293.506 where: short stacking energy: -127.660 Base-Backbone interact. energy: 0.231 local terms energy: -169.458015 where: bonds (distance) C4'-P energy: -48.470 bonds (distance) P-C4' energy: -51.175 flat angles C4'-P-C4' energy: -48.751 flat angles P-C4'-P energy: -12.065 tors. eta vs tors. theta energy: -8.997 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: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1060.868378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.868378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.868378 (E_RNA) where: Base-Base interactions energy: -753.589 where: short stacking energy: -304.243 Base-Backbone interact. energy: -1.258 local terms energy: -306.021413 where: bonds (distance) C4'-P energy: -61.556 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -62.574 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: -79.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1002.525789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.525789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.525789 (E_RNA) where: Base-Base interactions energy: -710.044 where: short stacking energy: -276.810 Base-Backbone interact. energy: 1.198 local terms energy: -293.680678 where: bonds (distance) C4'-P energy: -52.765 bonds (distance) P-C4' energy: -56.954 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -76.105 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: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -966.759253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.759253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.759253 (E_RNA) where: Base-Base interactions energy: -678.753 where: short stacking energy: -284.424 Base-Backbone interact. energy: -3.174 local terms energy: -284.832610 where: bonds (distance) C4'-P energy: -51.592 bonds (distance) P-C4' energy: -54.312 flat angles C4'-P-C4' energy: -68.286 flat angles P-C4'-P energy: -35.473 tors. eta vs tors. theta energy: -75.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -938.748566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.748566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.748566 (E_RNA) where: Base-Base interactions energy: -662.057 where: short stacking energy: -283.577 Base-Backbone interact. energy: -1.369 local terms energy: -275.322601 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -52.178 flat angles C4'-P-C4' energy: -55.393 flat angles P-C4'-P energy: -35.433 tors. eta vs tors. theta energy: -81.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -893.036133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.036133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.036133 (E_RNA) where: Base-Base interactions energy: -636.004 where: short stacking energy: -255.871 Base-Backbone interact. energy: -1.607 local terms energy: -255.425756 where: bonds (distance) C4'-P energy: -48.938 bonds (distance) P-C4' energy: -61.908 flat angles C4'-P-C4' energy: -48.457 flat angles P-C4'-P energy: -32.136 tors. eta vs tors. theta energy: -63.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -767.421140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.421140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.421140 (E_RNA) where: Base-Base interactions energy: -523.578 where: short stacking energy: -229.074 Base-Backbone interact. energy: -1.784 local terms energy: -242.058516 where: bonds (distance) C4'-P energy: -35.602 bonds (distance) P-C4' energy: -60.211 flat angles C4'-P-C4' energy: -54.891 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -51.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -726.283157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.283157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.283157 (E_RNA) where: Base-Base interactions energy: -476.926 where: short stacking energy: -216.271 Base-Backbone interact. energy: -0.731 local terms energy: -248.626138 where: bonds (distance) C4'-P energy: -47.477 bonds (distance) P-C4' energy: -50.045 flat angles C4'-P-C4' energy: -58.387 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -54.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -598.435737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.435737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.435737 (E_RNA) where: Base-Base interactions energy: -379.616 where: short stacking energy: -165.393 Base-Backbone interact. energy: -1.524 local terms energy: -217.295620 where: bonds (distance) C4'-P energy: -42.713 bonds (distance) P-C4' energy: -51.942 flat angles C4'-P-C4' energy: -52.109 flat angles P-C4'-P energy: -34.723 tors. eta vs tors. theta energy: -35.809 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: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -507.707046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.707046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.707046 (E_RNA) where: Base-Base interactions energy: -329.638 where: short stacking energy: -142.419 Base-Backbone interact. energy: 3.892 local terms energy: -181.960466 where: bonds (distance) C4'-P energy: -46.290 bonds (distance) P-C4' energy: -54.605 flat angles C4'-P-C4' energy: -41.229 flat angles P-C4'-P energy: -17.015 tors. eta vs tors. theta energy: -22.821 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: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -472.701333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.701333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.701333 (E_RNA) where: Base-Base interactions energy: -293.546 where: short stacking energy: -134.717 Base-Backbone interact. energy: -3.046 local terms energy: -176.109015 where: bonds (distance) C4'-P energy: -41.377 bonds (distance) P-C4' energy: -49.747 flat angles C4'-P-C4' energy: -36.523 flat angles P-C4'-P energy: -32.140 tors. eta vs tors. theta energy: -16.321 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: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1082.702444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.702444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.702444 (E_RNA) where: Base-Base interactions energy: -747.628 where: short stacking energy: -296.241 Base-Backbone interact. energy: -1.899 local terms energy: -333.175977 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -68.976 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -83.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -975.881638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.881638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.881638 (E_RNA) where: Base-Base interactions energy: -685.026 where: short stacking energy: -280.875 Base-Backbone interact. energy: -1.739 local terms energy: -289.115835 where: bonds (distance) C4'-P energy: -46.147 bonds (distance) P-C4' energy: -54.097 flat angles C4'-P-C4' energy: -67.751 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -77.688 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: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -951.513467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.513467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.513467 (E_RNA) where: Base-Base interactions energy: -668.201 where: short stacking energy: -260.406 Base-Backbone interact. energy: -1.076 local terms energy: -282.236252 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -49.239 flat angles C4'-P-C4' energy: -55.795 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -73.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -954.907773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.907773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.907773 (E_RNA) where: Base-Base interactions energy: -670.962 where: short stacking energy: -297.588 Base-Backbone interact. energy: -2.009 local terms energy: -281.936850 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -53.588 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: -82.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -893.557229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.557229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.557229 (E_RNA) where: Base-Base interactions energy: -625.277 where: short stacking energy: -254.215 Base-Backbone interact. energy: -0.877 local terms energy: -267.403280 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -51.610 flat angles P-C4'-P energy: -33.030 tors. eta vs tors. theta energy: -66.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -744.724265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.724265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.724265 (E_RNA) where: Base-Base interactions energy: -510.441 where: short stacking energy: -198.933 Base-Backbone interact. energy: -1.382 local terms energy: -232.901821 where: bonds (distance) C4'-P energy: -46.516 bonds (distance) P-C4' energy: -48.466 flat angles C4'-P-C4' energy: -56.768 flat angles P-C4'-P energy: -38.248 tors. eta vs tors. theta energy: -42.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -750.250125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.250125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.250125 (E_RNA) where: Base-Base interactions energy: -518.883 where: short stacking energy: -228.365 Base-Backbone interact. energy: -0.431 local terms energy: -230.935751 where: bonds (distance) C4'-P energy: -40.621 bonds (distance) P-C4' energy: -42.303 flat angles C4'-P-C4' energy: -53.889 flat angles P-C4'-P energy: -37.653 tors. eta vs tors. theta energy: -56.470 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: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -606.174758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.174758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.174758 (E_RNA) where: Base-Base interactions energy: -384.306 where: short stacking energy: -176.576 Base-Backbone interact. energy: -0.458 local terms energy: -221.411065 where: bonds (distance) C4'-P energy: -50.660 bonds (distance) P-C4' energy: -45.571 flat angles C4'-P-C4' energy: -53.668 flat angles P-C4'-P energy: -31.722 tors. eta vs tors. theta energy: -39.789 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: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -539.546779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.546779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.546779 (E_RNA) where: Base-Base interactions energy: -350.313 where: short stacking energy: -157.177 Base-Backbone interact. energy: -1.255 local terms energy: -187.978724 where: bonds (distance) C4'-P energy: -43.655 bonds (distance) P-C4' energy: -41.436 flat angles C4'-P-C4' energy: -38.507 flat angles P-C4'-P energy: -27.973 tors. eta vs tors. theta energy: -36.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -451.758905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.758905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.758905 (E_RNA) where: Base-Base interactions energy: -258.244 where: short stacking energy: -113.476 Base-Backbone interact. energy: -0.185 local terms energy: -193.330083 where: bonds (distance) C4'-P energy: -46.096 bonds (distance) P-C4' energy: -51.748 flat angles C4'-P-C4' energy: -43.444 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1054.261630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.261630 (E_RNA) where: Base-Base interactions energy: -742.594 where: short stacking energy: -294.825 Base-Backbone interact. energy: -1.035 local terms energy: -310.632141 where: bonds (distance) C4'-P energy: -50.264 bonds (distance) P-C4' energy: -64.619 flat angles C4'-P-C4' energy: -71.515 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -76.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1016.114466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.114466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.114466 (E_RNA) where: Base-Base interactions energy: -723.267 where: short stacking energy: -302.275 Base-Backbone interact. energy: -2.152 local terms energy: -290.695729 where: bonds (distance) C4'-P energy: -50.947 bonds (distance) P-C4' energy: -59.465 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: -85.379 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: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -955.055299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.055299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.055299 (E_RNA) where: Base-Base interactions energy: -664.876 where: short stacking energy: -275.404 Base-Backbone interact. energy: -0.255 local terms energy: -289.924103 where: bonds (distance) C4'-P energy: -46.384 bonds (distance) P-C4' energy: -59.664 flat angles C4'-P-C4' energy: -62.890 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -78.248 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: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -931.389454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.389454 (E_RNA) where: Base-Base interactions energy: -642.653 where: short stacking energy: -277.616 Base-Backbone interact. energy: -2.076 local terms energy: -286.659929 where: bonds (distance) C4'-P energy: -47.281 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -56.508 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -79.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -871.048663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.048663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.048663 (E_RNA) where: Base-Base interactions energy: -600.124 where: short stacking energy: -257.431 Base-Backbone interact. energy: -0.756 local terms energy: -270.168338 where: bonds (distance) C4'-P energy: -51.149 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -35.443 tors. eta vs tors. theta energy: -72.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -746.350205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.350205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.350205 (E_RNA) where: Base-Base interactions energy: -509.499 where: short stacking energy: -217.248 Base-Backbone interact. energy: -0.892 local terms energy: -235.958953 where: bonds (distance) C4'-P energy: -48.429 bonds (distance) P-C4' energy: -46.932 flat angles C4'-P-C4' energy: -58.030 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -40.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -741.779430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.779430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.779430 (E_RNA) where: Base-Base interactions energy: -486.702 where: short stacking energy: -216.325 Base-Backbone interact. energy: -1.388 local terms energy: -253.689333 where: bonds (distance) C4'-P energy: -46.849 bonds (distance) P-C4' energy: -64.679 flat angles C4'-P-C4' energy: -54.009 flat angles P-C4'-P energy: -31.698 tors. eta vs tors. theta energy: -56.455 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: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -628.868103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.868103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.868103 (E_RNA) where: Base-Base interactions energy: -429.317 where: short stacking energy: -177.199 Base-Backbone interact. energy: -0.653 local terms energy: -198.897521 where: bonds (distance) C4'-P energy: -40.525 bonds (distance) P-C4' energy: -46.849 flat angles C4'-P-C4' energy: -52.153 flat angles P-C4'-P energy: -25.252 tors. eta vs tors. theta energy: -34.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -532.507727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.507727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.507727 (E_RNA) where: Base-Base interactions energy: -340.448 where: short stacking energy: -159.706 Base-Backbone interact. energy: -0.043 local terms energy: -192.016563 where: bonds (distance) C4'-P energy: -55.283 bonds (distance) P-C4' energy: -44.041 flat angles C4'-P-C4' energy: -44.910 flat angles P-C4'-P energy: -17.681 tors. eta vs tors. theta energy: -30.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -471.469496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.469496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.469496 (E_RNA) where: Base-Base interactions energy: -283.218 where: short stacking energy: -127.633 Base-Backbone interact. energy: -1.818 local terms energy: -186.433246 where: bonds (distance) C4'-P energy: -38.764 bonds (distance) P-C4' energy: -44.171 flat angles C4'-P-C4' energy: -43.088 flat angles P-C4'-P energy: -31.491 tors. eta vs tors. theta energy: -28.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1058.213775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.213775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.213775 (E_RNA) where: Base-Base interactions energy: -760.671 where: short stacking energy: -306.210 Base-Backbone interact. energy: 1.503 local terms energy: -299.045872 where: bonds (distance) C4'-P energy: -55.926 bonds (distance) P-C4' energy: -60.440 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -41.675 tors. eta vs tors. theta energy: -76.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1001.379363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.379363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.379363 (E_RNA) where: Base-Base interactions energy: -690.381 where: short stacking energy: -276.626 Base-Backbone interact. energy: -1.556 local terms energy: -309.442830 where: bonds (distance) C4'-P energy: -60.831 bonds (distance) P-C4' energy: -57.781 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -77.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -950.518945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.518945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.518945 (E_RNA) where: Base-Base interactions energy: -669.773 where: short stacking energy: -279.239 Base-Backbone interact. energy: -0.452 local terms energy: -280.294097 where: bonds (distance) C4'-P energy: -52.063 bonds (distance) P-C4' energy: -52.996 flat angles C4'-P-C4' energy: -62.564 flat angles P-C4'-P energy: -29.362 tors. eta vs tors. theta energy: -83.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -928.298635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.298635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.298635 (E_RNA) where: Base-Base interactions energy: -636.821 where: short stacking energy: -264.278 Base-Backbone interact. energy: -1.086 local terms energy: -290.391158 where: bonds (distance) C4'-P energy: -50.786 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -35.290 tors. eta vs tors. theta energy: -76.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -852.249542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.249542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.249542 (E_RNA) where: Base-Base interactions energy: -612.285 where: short stacking energy: -252.888 Base-Backbone interact. energy: -0.756 local terms energy: -239.207915 where: bonds (distance) C4'-P energy: -48.514 bonds (distance) P-C4' energy: -29.210 flat angles C4'-P-C4' energy: -58.013 flat angles P-C4'-P energy: -39.002 tors. eta vs tors. theta energy: -64.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -772.845994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.845994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.845994 (E_RNA) where: Base-Base interactions energy: -519.329 where: short stacking energy: -229.437 Base-Backbone interact. energy: 1.109 local terms energy: -254.626669 where: bonds (distance) C4'-P energy: -47.438 bonds (distance) P-C4' energy: -56.195 flat angles C4'-P-C4' energy: -55.747 flat angles P-C4'-P energy: -38.638 tors. eta vs tors. theta energy: -56.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -699.322091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.322091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.322091 (E_RNA) where: Base-Base interactions energy: -457.335 where: short stacking energy: -201.936 Base-Backbone interact. energy: -1.170 local terms energy: -240.817436 where: bonds (distance) C4'-P energy: -50.803 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -26.681 tors. eta vs tors. theta energy: -50.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -640.318771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.318771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.318771 (E_RNA) where: Base-Base interactions energy: -403.817 where: short stacking energy: -183.138 Base-Backbone interact. energy: -2.171 local terms energy: -234.330547 where: bonds (distance) C4'-P energy: -50.816 bonds (distance) P-C4' energy: -52.518 flat angles C4'-P-C4' energy: -49.148 flat angles P-C4'-P energy: -38.414 tors. eta vs tors. theta energy: -43.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -497.968641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.968641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.968641 (E_RNA) where: Base-Base interactions energy: -281.943 where: short stacking energy: -137.453 Base-Backbone interact. energy: 3.886 local terms energy: -219.911618 where: bonds (distance) C4'-P energy: -48.370 bonds (distance) P-C4' energy: -49.019 flat angles C4'-P-C4' energy: -49.824 flat angles P-C4'-P energy: -31.999 tors. eta vs tors. theta energy: -40.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -465.518748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.518748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.518748 (E_RNA) where: Base-Base interactions energy: -276.678 where: short stacking energy: -128.806 Base-Backbone interact. energy: -0.233 local terms energy: -188.608338 where: bonds (distance) C4'-P energy: -43.603 bonds (distance) P-C4' energy: -50.548 flat angles C4'-P-C4' energy: -59.120 flat angles P-C4'-P energy: -22.185 tors. eta vs tors. theta energy: -13.152 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: 292 Temperature: 0.900000 Total energy: -1028.607559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.607559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.607559 (E_RNA) where: Base-Base interactions energy: -724.471 where: short stacking energy: -294.623 Base-Backbone interact. energy: 3.240 local terms energy: -307.376748 where: bonds (distance) C4'-P energy: -48.981 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -68.046 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: -81.221 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: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1054.496608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.496608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.496608 (E_RNA) where: Base-Base interactions energy: -752.431 where: short stacking energy: -287.728 Base-Backbone interact. energy: -0.897 local terms energy: -301.168100 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -66.612 flat angles P-C4'-P energy: -33.600 tors. eta vs tors. theta energy: -78.551 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: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -964.633685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.633685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.633685 (E_RNA) where: Base-Base interactions energy: -678.217 where: short stacking energy: -275.867 Base-Backbone interact. energy: -2.202 local terms energy: -284.214035 where: bonds (distance) C4'-P energy: -59.583 bonds (distance) P-C4' energy: -60.333 flat angles C4'-P-C4' energy: -61.402 flat angles P-C4'-P energy: -31.499 tors. eta vs tors. theta energy: -71.398 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: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -951.110181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.110181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.110181 (E_RNA) where: Base-Base interactions energy: -665.172 where: short stacking energy: -269.833 Base-Backbone interact. energy: -1.154 local terms energy: -284.784840 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -46.682 flat angles C4'-P-C4' energy: -64.102 flat angles P-C4'-P energy: -42.801 tors. eta vs tors. theta energy: -78.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -853.163234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.163234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.163234 (E_RNA) where: Base-Base interactions energy: -593.354 where: short stacking energy: -229.470 Base-Backbone interact. energy: -2.458 local terms energy: -257.351702 where: bonds (distance) C4'-P energy: -46.357 bonds (distance) P-C4' energy: -53.160 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -62.288 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: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -767.561805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.561805 (E_RNA) where: Base-Base interactions energy: -511.265 where: short stacking energy: -219.955 Base-Backbone interact. energy: -1.199 local terms energy: -255.097927 where: bonds (distance) C4'-P energy: -44.521 bonds (distance) P-C4' energy: -53.425 flat angles C4'-P-C4' energy: -58.451 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -58.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -751.868704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.868704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.868704 (E_RNA) where: Base-Base interactions energy: -495.527 where: short stacking energy: -242.378 Base-Backbone interact. energy: -1.886 local terms energy: -254.455331 where: bonds (distance) C4'-P energy: -56.551 bonds (distance) P-C4' energy: -52.634 flat angles C4'-P-C4' energy: -50.976 flat angles P-C4'-P energy: -31.135 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: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -603.929070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.929070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.929070 (E_RNA) where: Base-Base interactions energy: -396.368 where: short stacking energy: -176.549 Base-Backbone interact. energy: 3.346 local terms energy: -210.906308 where: bonds (distance) C4'-P energy: -41.701 bonds (distance) P-C4' energy: -51.102 flat angles C4'-P-C4' energy: -56.202 flat angles P-C4'-P energy: -22.311 tors. eta vs tors. theta energy: -39.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -506.629106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.629106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.629106 (E_RNA) where: Base-Base interactions energy: -292.758 where: short stacking energy: -152.800 Base-Backbone interact. energy: -4.578 local terms energy: -209.293218 where: bonds (distance) C4'-P energy: -43.922 bonds (distance) P-C4' energy: -57.061 flat angles C4'-P-C4' energy: -54.343 flat angles P-C4'-P energy: -34.153 tors. eta vs tors. theta energy: -19.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -524.166411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.166411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.166411 (E_RNA) where: Base-Base interactions energy: -332.119 where: short stacking energy: -150.173 Base-Backbone interact. energy: 2.965 local terms energy: -195.012609 where: bonds (distance) C4'-P energy: -51.042 bonds (distance) P-C4' energy: -46.017 flat angles C4'-P-C4' energy: -36.865 flat angles P-C4'-P energy: -36.910 tors. eta vs tors. theta energy: -24.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1027.250746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.250746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.250746 (E_RNA) where: Base-Base interactions energy: -718.350 where: short stacking energy: -306.920 Base-Backbone interact. energy: 0.847 local terms energy: -309.747954 where: bonds (distance) C4'-P energy: -55.343 bonds (distance) P-C4' energy: -58.043 flat angles C4'-P-C4' energy: -69.620 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -83.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1037.046610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.046610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.046610 (E_RNA) where: Base-Base interactions energy: -743.825 where: short stacking energy: -289.758 Base-Backbone interact. energy: 0.919 local terms energy: -294.140447 where: bonds (distance) C4'-P energy: -64.715 bonds (distance) P-C4' energy: -51.057 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -41.224 tors. eta vs tors. theta energy: -78.540 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: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -980.081864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.081864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.081864 (E_RNA) where: Base-Base interactions energy: -688.532 where: short stacking energy: -289.363 Base-Backbone interact. energy: -1.531 local terms energy: -290.019162 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -50.597 flat angles C4'-P-C4' energy: -65.217 flat angles P-C4'-P energy: -33.124 tors. eta vs tors. theta energy: -78.626 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: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -955.693350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.693350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.693350 (E_RNA) where: Base-Base interactions energy: -672.937 where: short stacking energy: -276.001 Base-Backbone interact. energy: -0.160 local terms energy: -282.596273 where: bonds (distance) C4'-P energy: -47.493 bonds (distance) P-C4' energy: -55.442 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -38.583 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -872.423634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.423634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.423634 (E_RNA) where: Base-Base interactions energy: -615.647 where: short stacking energy: -254.958 Base-Backbone interact. energy: -1.019 local terms energy: -255.757806 where: bonds (distance) C4'-P energy: -48.448 bonds (distance) P-C4' energy: -57.583 flat angles C4'-P-C4' energy: -56.703 flat angles P-C4'-P energy: -36.032 tors. eta vs tors. theta energy: -56.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -781.873280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.873280 (E_RNA) where: Base-Base interactions energy: -540.884 where: short stacking energy: -235.899 Base-Backbone interact. energy: -0.570 local terms energy: -240.419255 where: bonds (distance) C4'-P energy: -43.864 bonds (distance) P-C4' energy: -53.861 flat angles C4'-P-C4' energy: -53.090 flat angles P-C4'-P energy: -32.247 tors. eta vs tors. theta energy: -57.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -759.823510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.823510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.823510 (E_RNA) where: Base-Base interactions energy: -505.757 where: short stacking energy: -214.448 Base-Backbone interact. energy: -0.690 local terms energy: -253.376729 where: bonds (distance) C4'-P energy: -45.520 bonds (distance) P-C4' energy: -60.107 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -51.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -608.918783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.918783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.918783 (E_RNA) where: Base-Base interactions energy: -410.170 where: short stacking energy: -177.113 Base-Backbone interact. energy: -0.989 local terms energy: -197.760379 where: bonds (distance) C4'-P energy: -38.691 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -45.527 flat angles P-C4'-P energy: -26.616 tors. eta vs tors. theta energy: -31.308 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: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -521.626144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.626144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.626144 (E_RNA) where: Base-Base interactions energy: -316.035 where: short stacking energy: -144.965 Base-Backbone interact. energy: -0.183 local terms energy: -205.407778 where: bonds (distance) C4'-P energy: -48.049 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -50.901 flat angles P-C4'-P energy: -33.993 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -458.510956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.510956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.510956 (E_RNA) where: Base-Base interactions energy: -275.024 where: short stacking energy: -141.933 Base-Backbone interact. energy: 0.091 local terms energy: -183.578077 where: bonds (distance) C4'-P energy: -47.511 bonds (distance) P-C4' energy: -44.741 flat angles C4'-P-C4' energy: -46.823 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1029.837806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.837806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.837806 (E_RNA) where: Base-Base interactions energy: -720.841 where: short stacking energy: -302.682 Base-Backbone interact. energy: -1.493 local terms energy: -307.503401 where: bonds (distance) C4'-P energy: -46.051 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -64.822 flat angles P-C4'-P energy: -48.601 tors. eta vs tors. theta energy: -86.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1017.712818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.712818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.712818 (E_RNA) where: Base-Base interactions energy: -732.564 where: short stacking energy: -279.759 Base-Backbone interact. energy: -1.893 local terms energy: -283.255517 where: bonds (distance) C4'-P energy: -50.849 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -60.681 flat angles P-C4'-P energy: -37.031 tors. eta vs tors. theta energy: -81.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -979.166613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.166613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.166613 (E_RNA) where: Base-Base interactions energy: -678.226 where: short stacking energy: -279.822 Base-Backbone interact. energy: 1.834 local terms energy: -302.775212 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -55.767 flat angles C4'-P-C4' energy: -64.798 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -83.671 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: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -923.208863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.208863 (E_RNA) where: Base-Base interactions energy: -616.428 where: short stacking energy: -255.539 Base-Backbone interact. energy: -1.691 local terms energy: -305.089942 where: bonds (distance) C4'-P energy: -56.190 bonds (distance) P-C4' energy: -59.982 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -46.366 tors. eta vs tors. theta energy: -77.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -900.777073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.777073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.777073 (E_RNA) where: Base-Base interactions energy: -630.335 where: short stacking energy: -251.005 Base-Backbone interact. energy: -1.111 local terms energy: -269.331097 where: bonds (distance) C4'-P energy: -53.637 bonds (distance) P-C4' energy: -45.480 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -67.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -770.104538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.104538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.104538 (E_RNA) where: Base-Base interactions energy: -520.253 where: short stacking energy: -236.037 Base-Backbone interact. energy: 1.875 local terms energy: -251.726285 where: bonds (distance) C4'-P energy: -43.021 bonds (distance) P-C4' energy: -50.185 flat angles C4'-P-C4' energy: -59.736 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -55.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -765.593987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.593987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.593987 (E_RNA) where: Base-Base interactions energy: -530.918 where: short stacking energy: -233.131 Base-Backbone interact. energy: -0.842 local terms energy: -233.833674 where: bonds (distance) C4'-P energy: -41.543 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -49.987 flat angles P-C4'-P energy: -35.111 tors. eta vs tors. theta energy: -54.656 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: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -612.331258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.331258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.331258 (E_RNA) where: Base-Base interactions energy: -389.697 where: short stacking energy: -172.955 Base-Backbone interact. energy: -2.021 local terms energy: -220.613134 where: bonds (distance) C4'-P energy: -44.350 bonds (distance) P-C4' energy: -49.293 flat angles C4'-P-C4' energy: -44.556 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: -37.612 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: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -473.153742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.153742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.153742 (E_RNA) where: Base-Base interactions energy: -272.377 where: short stacking energy: -126.937 Base-Backbone interact. energy: -1.528 local terms energy: -199.249189 where: bonds (distance) C4'-P energy: -55.708 bonds (distance) P-C4' energy: -38.689 flat angles C4'-P-C4' energy: -61.242 flat angles P-C4'-P energy: -29.357 tors. eta vs tors. theta energy: -14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -545.712294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.712294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.712294 (E_RNA) where: Base-Base interactions energy: -364.052 where: short stacking energy: -151.697 Base-Backbone interact. energy: 0.824 local terms energy: -182.484362 where: bonds (distance) C4'-P energy: -39.898 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -39.725 flat angles P-C4'-P energy: -24.309 tors. eta vs tors. theta energy: -25.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1010.503376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.503376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.503376 (E_RNA) where: Base-Base interactions energy: -709.098 where: short stacking energy: -293.719 Base-Backbone interact. energy: -1.932 local terms energy: -299.472838 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -56.687 flat angles C4'-P-C4' energy: -67.182 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -83.126 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: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1018.391714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.391714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.391714 (E_RNA) where: Base-Base interactions energy: -717.345 where: short stacking energy: -280.577 Base-Backbone interact. energy: -1.870 local terms energy: -299.177394 where: bonds (distance) C4'-P energy: -51.803 bonds (distance) P-C4' energy: -63.493 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -73.924 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -944.394541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.394541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.394541 (E_RNA) where: Base-Base interactions energy: -651.460 where: short stacking energy: -284.158 Base-Backbone interact. energy: 0.549 local terms energy: -293.482929 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -57.989 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -36.181 tors. eta vs tors. theta energy: -80.112 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: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -889.208374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.208374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.208374 (E_RNA) where: Base-Base interactions energy: -632.260 where: short stacking energy: -241.915 Base-Backbone interact. energy: -1.701 local terms energy: -255.247481 where: bonds (distance) C4'-P energy: -51.666 bonds (distance) P-C4' energy: -50.520 flat angles C4'-P-C4' energy: -60.508 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: -57.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -897.566446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.566446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.566446 (E_RNA) where: Base-Base interactions energy: -617.333 where: short stacking energy: -249.781 Base-Backbone interact. energy: 1.945 local terms energy: -282.178918 where: bonds (distance) C4'-P energy: -41.160 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -74.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -787.183251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.183251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.183251 (E_RNA) where: Base-Base interactions energy: -545.676 where: short stacking energy: -230.538 Base-Backbone interact. energy: -0.200 local terms energy: -241.307612 where: bonds (distance) C4'-P energy: -38.135 bonds (distance) P-C4' energy: -48.236 flat angles C4'-P-C4' energy: -53.680 flat angles P-C4'-P energy: -40.683 tors. eta vs tors. theta energy: -60.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -752.568832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.568832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.568832 (E_RNA) where: Base-Base interactions energy: -513.263 where: short stacking energy: -236.547 Base-Backbone interact. energy: 1.594 local terms energy: -240.899296 where: bonds (distance) C4'-P energy: -33.828 bonds (distance) P-C4' energy: -57.023 flat angles C4'-P-C4' energy: -54.592 flat angles P-C4'-P energy: -40.193 tors. eta vs tors. theta energy: -55.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -599.595276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.595276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.595276 (E_RNA) where: Base-Base interactions energy: -377.737 where: short stacking energy: -164.344 Base-Backbone interact. energy: -1.297 local terms energy: -220.561738 where: bonds (distance) C4'-P energy: -56.252 bonds (distance) P-C4' energy: -41.165 flat angles C4'-P-C4' energy: -47.762 flat angles P-C4'-P energy: -30.856 tors. eta vs tors. theta energy: -44.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -491.879043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.879043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.879043 (E_RNA) where: Base-Base interactions energy: -308.664 where: short stacking energy: -132.640 Base-Backbone interact. energy: 0.141 local terms energy: -183.355647 where: bonds (distance) C4'-P energy: -35.676 bonds (distance) P-C4' energy: -43.931 flat angles C4'-P-C4' energy: -50.525 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -20.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -539.557820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.557820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.557820 (E_RNA) where: Base-Base interactions energy: -346.313 where: short stacking energy: -166.682 Base-Backbone interact. energy: 0.757 local terms energy: -194.001689 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -51.625 flat angles C4'-P-C4' energy: -48.013 flat angles P-C4'-P energy: -21.438 tors. eta vs tors. theta energy: -23.339 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: 296 Temperature: 0.900000 Total energy: -1020.672463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.672463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.672463 (E_RNA) where: Base-Base interactions energy: -720.272 where: short stacking energy: -297.021 Base-Backbone interact. energy: 0.832 local terms energy: -301.233293 where: bonds (distance) C4'-P energy: -61.557 bonds (distance) P-C4' energy: -47.117 flat angles C4'-P-C4' energy: -67.660 flat angles P-C4'-P energy: -34.352 tors. eta vs tors. theta energy: -90.548 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: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1003.666920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.666920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.666920 (E_RNA) where: Base-Base interactions energy: -712.946 where: short stacking energy: -277.362 Base-Backbone interact. energy: 2.677 local terms energy: -293.397845 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -53.955 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -76.630 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: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -977.570137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.570137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.570137 (E_RNA) where: Base-Base interactions energy: -680.596 where: short stacking energy: -278.271 Base-Backbone interact. energy: -2.285 local terms energy: -294.689156 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -67.623 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -75.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -904.519354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.519354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.519354 (E_RNA) where: Base-Base interactions energy: -651.885 where: short stacking energy: -255.010 Base-Backbone interact. energy: -0.806 local terms energy: -251.828400 where: bonds (distance) C4'-P energy: -52.046 bonds (distance) P-C4' energy: -50.367 flat angles C4'-P-C4' energy: -55.427 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -54.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -920.823993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.823993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.823993 (E_RNA) where: Base-Base interactions energy: -636.998 where: short stacking energy: -266.214 Base-Backbone interact. energy: -1.264 local terms energy: -282.562223 where: bonds (distance) C4'-P energy: -45.614 bonds (distance) P-C4' energy: -45.494 flat angles C4'-P-C4' energy: -59.168 flat angles P-C4'-P energy: -49.055 tors. eta vs tors. theta energy: -83.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -802.185213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.185213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.185213 (E_RNA) where: Base-Base interactions energy: -536.396 where: short stacking energy: -236.419 Base-Backbone interact. energy: -0.591 local terms energy: -265.198240 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -53.233 flat angles C4'-P-C4' energy: -61.007 flat angles P-C4'-P energy: -30.086 tors. eta vs tors. theta energy: -65.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -756.452985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.452985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.452985 (E_RNA) where: Base-Base interactions energy: -531.860 where: short stacking energy: -237.130 Base-Backbone interact. energy: -1.618 local terms energy: -222.974949 where: bonds (distance) C4'-P energy: -44.244 bonds (distance) P-C4' energy: -40.419 flat angles C4'-P-C4' energy: -51.410 flat angles P-C4'-P energy: -27.257 tors. eta vs tors. theta energy: -59.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -603.165821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.165821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.165821 (E_RNA) where: Base-Base interactions energy: -381.218 where: short stacking energy: -207.103 Base-Backbone interact. energy: -0.999 local terms energy: -220.947971 where: bonds (distance) C4'-P energy: -36.418 bonds (distance) P-C4' energy: -56.046 flat angles C4'-P-C4' energy: -54.050 flat angles P-C4'-P energy: -26.318 tors. eta vs tors. theta energy: -48.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -541.229106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.229106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.229106 (E_RNA) where: Base-Base interactions energy: -355.711 where: short stacking energy: -169.661 Base-Backbone interact. energy: 6.284 local terms energy: -191.801205 where: bonds (distance) C4'-P energy: -48.444 bonds (distance) P-C4' energy: -47.573 flat angles C4'-P-C4' energy: -40.606 flat angles P-C4'-P energy: -29.923 tors. eta vs tors. theta energy: -25.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -512.097723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.097723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.097723 (E_RNA) where: Base-Base interactions energy: -315.239 where: short stacking energy: -144.885 Base-Backbone interact. energy: 5.205 local terms energy: -202.064189 where: bonds (distance) C4'-P energy: -46.183 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -35.613 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -21.803 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: 297 Temperature: 0.900000 Total energy: -1009.631072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.631072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.631072 (E_RNA) where: Base-Base interactions energy: -695.194 where: short stacking energy: -283.751 Base-Backbone interact. energy: 0.322 local terms energy: -314.759307 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -63.769 flat angles P-C4'-P energy: -42.918 tors. eta vs tors. theta energy: -81.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1004.098554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.098554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.098554 (E_RNA) where: Base-Base interactions energy: -704.869 where: short stacking energy: -266.514 Base-Backbone interact. energy: 3.537 local terms energy: -302.766452 where: bonds (distance) C4'-P energy: -59.870 bonds (distance) P-C4' energy: -68.532 flat angles C4'-P-C4' energy: -62.917 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -73.668 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: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -961.749801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.749801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.749801 (E_RNA) where: Base-Base interactions energy: -662.159 where: short stacking energy: -273.669 Base-Backbone interact. energy: 0.353 local terms energy: -299.943793 where: bonds (distance) C4'-P energy: -53.998 bonds (distance) P-C4' energy: -59.304 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -73.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -953.309745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.309745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.309745 (E_RNA) where: Base-Base interactions energy: -655.134 where: short stacking energy: -282.554 Base-Backbone interact. energy: -2.805 local terms energy: -295.370269 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -52.802 flat angles C4'-P-C4' energy: -59.964 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -87.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -876.793604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.793604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.793604 (E_RNA) where: Base-Base interactions energy: -628.315 where: short stacking energy: -250.184 Base-Backbone interact. energy: -1.440 local terms energy: -247.038669 where: bonds (distance) C4'-P energy: -49.463 bonds (distance) P-C4' energy: -40.328 flat angles C4'-P-C4' energy: -60.224 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -58.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -803.446917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.446917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.446917 (E_RNA) where: Base-Base interactions energy: -561.785 where: short stacking energy: -262.051 Base-Backbone interact. energy: -1.007 local terms energy: -240.655249 where: bonds (distance) C4'-P energy: -42.193 bonds (distance) P-C4' energy: -44.446 flat angles C4'-P-C4' energy: -57.792 flat angles P-C4'-P energy: -32.910 tors. eta vs tors. theta energy: -63.315 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -737.521402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.521402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.521402 (E_RNA) where: Base-Base interactions energy: -484.848 where: short stacking energy: -236.704 Base-Backbone interact. energy: -0.461 local terms energy: -252.212912 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -42.694 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -33.743 tors. eta vs tors. theta energy: -67.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -603.584271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.584271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.584271 (E_RNA) where: Base-Base interactions energy: -376.593 where: short stacking energy: -181.252 Base-Backbone interact. energy: -1.216 local terms energy: -225.776012 where: bonds (distance) C4'-P energy: -46.506 bonds (distance) P-C4' energy: -46.292 flat angles C4'-P-C4' energy: -60.817 flat angles P-C4'-P energy: -30.812 tors. eta vs tors. theta energy: -41.349 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: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -587.961425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.961425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.961425 (E_RNA) where: Base-Base interactions energy: -375.044 where: short stacking energy: -170.862 Base-Backbone interact. energy: -0.686 local terms energy: -212.231328 where: bonds (distance) C4'-P energy: -51.611 bonds (distance) P-C4' energy: -43.211 flat angles C4'-P-C4' energy: -50.116 flat angles P-C4'-P energy: -38.531 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -465.499209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.499209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.499209 (E_RNA) where: Base-Base interactions energy: -302.603 where: short stacking energy: -148.101 Base-Backbone interact. energy: 6.217 local terms energy: -169.112816 where: bonds (distance) C4'-P energy: -36.880 bonds (distance) P-C4' energy: -48.742 flat angles C4'-P-C4' energy: -37.469 flat angles P-C4'-P energy: -26.447 tors. eta vs tors. theta energy: -19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1014.583781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.583781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.583781 (E_RNA) where: Base-Base interactions energy: -720.023 where: short stacking energy: -274.919 Base-Backbone interact. energy: 2.620 local terms energy: -297.180785 where: bonds (distance) C4'-P energy: -55.075 bonds (distance) P-C4' energy: -61.705 flat angles C4'-P-C4' energy: -57.282 flat angles P-C4'-P energy: -51.077 tors. eta vs tors. theta energy: -72.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -980.917781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.917781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.917781 (E_RNA) where: Base-Base interactions energy: -672.552 where: short stacking energy: -285.779 Base-Backbone interact. energy: -0.628 local terms energy: -307.737428 where: bonds (distance) C4'-P energy: -55.853 bonds (distance) P-C4' energy: -59.665 flat angles C4'-P-C4' energy: -64.962 flat angles P-C4'-P energy: -48.870 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: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -954.683875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.683875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.683875 (E_RNA) where: Base-Base interactions energy: -661.311 where: short stacking energy: -291.708 Base-Backbone interact. energy: -0.294 local terms energy: -293.078707 where: bonds (distance) C4'-P energy: -53.863 bonds (distance) P-C4' energy: -52.942 flat angles C4'-P-C4' energy: -57.795 flat angles P-C4'-P energy: -45.573 tors. eta vs tors. theta energy: -82.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -953.256003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.256003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.256003 (E_RNA) where: Base-Base interactions energy: -673.599 where: short stacking energy: -272.396 Base-Backbone interact. energy: -0.136 local terms energy: -279.520864 where: bonds (distance) C4'-P energy: -47.608 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -57.739 flat angles P-C4'-P energy: -43.527 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: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -865.283699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.283699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.283699 (E_RNA) where: Base-Base interactions energy: -602.767 where: short stacking energy: -255.494 Base-Backbone interact. energy: -0.761 local terms energy: -261.755822 where: bonds (distance) C4'-P energy: -54.207 bonds (distance) P-C4' energy: -45.621 flat angles C4'-P-C4' energy: -57.279 flat angles P-C4'-P energy: -46.025 tors. eta vs tors. theta energy: -58.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -834.264718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.264718 (E_RNA) where: Base-Base interactions energy: -570.073 where: short stacking energy: -239.234 Base-Backbone interact. energy: -1.308 local terms energy: -262.884533 where: bonds (distance) C4'-P energy: -51.555 bonds (distance) P-C4' energy: -50.520 flat angles C4'-P-C4' energy: -61.408 flat angles P-C4'-P energy: -31.144 tors. eta vs tors. theta energy: -68.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -739.269855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.269855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.269855 (E_RNA) where: Base-Base interactions energy: -481.434 where: short stacking energy: -211.780 Base-Backbone interact. energy: -0.345 local terms energy: -257.491004 where: bonds (distance) C4'-P energy: -50.060 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -55.083 flat angles P-C4'-P energy: -36.448 tors. eta vs tors. theta energy: -56.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -570.640492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.640492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.640492 (E_RNA) where: Base-Base interactions energy: -386.614 where: short stacking energy: -187.821 Base-Backbone interact. energy: -0.517 local terms energy: -183.508594 where: bonds (distance) C4'-P energy: -45.344 bonds (distance) P-C4' energy: -38.410 flat angles C4'-P-C4' energy: -51.905 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -40.821 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -596.022794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.022794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.022794 (E_RNA) where: Base-Base interactions energy: -372.890 where: short stacking energy: -159.556 Base-Backbone interact. energy: -0.180 local terms energy: -222.952508 where: bonds (distance) C4'-P energy: -53.105 bonds (distance) P-C4' energy: -54.371 flat angles C4'-P-C4' energy: -54.104 flat angles P-C4'-P energy: -27.128 tors. eta vs tors. theta energy: -34.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -528.184107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.184107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.184107 (E_RNA) where: Base-Base interactions energy: -343.530 where: short stacking energy: -157.057 Base-Backbone interact. energy: -1.012 local terms energy: -183.642436 where: bonds (distance) C4'-P energy: -35.954 bonds (distance) P-C4' energy: -51.431 flat angles C4'-P-C4' energy: -50.973 flat angles P-C4'-P energy: -32.343 tors. eta vs tors. theta energy: -12.941 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: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1033.352336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.352336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.352336 (E_RNA) where: Base-Base interactions energy: -736.574 where: short stacking energy: -292.923 Base-Backbone interact. energy: 0.782 local terms energy: -297.560792 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -53.114 flat angles C4'-P-C4' energy: -64.614 flat angles P-C4'-P energy: -47.098 tors. eta vs tors. theta energy: -69.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -980.915115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.915115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.915115 (E_RNA) where: Base-Base interactions energy: -687.709 where: short stacking energy: -292.267 Base-Backbone interact. energy: -1.127 local terms energy: -292.078844 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -61.337 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -76.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -957.891191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.891191 (E_RNA) where: Base-Base interactions energy: -655.502 where: short stacking energy: -277.192 Base-Backbone interact. energy: -0.778 local terms energy: -301.611648 where: bonds (distance) C4'-P energy: -63.370 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -56.997 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -79.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -946.405394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.405394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.405394 (E_RNA) where: Base-Base interactions energy: -678.891 where: short stacking energy: -265.564 Base-Backbone interact. energy: 0.045 local terms energy: -267.558910 where: bonds (distance) C4'-P energy: -47.661 bonds (distance) P-C4' energy: -53.648 flat angles C4'-P-C4' energy: -54.618 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -70.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -857.257842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.257842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.257842 (E_RNA) where: Base-Base interactions energy: -602.751 where: short stacking energy: -243.868 Base-Backbone interact. energy: -2.099 local terms energy: -252.407953 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -50.571 flat angles C4'-P-C4' energy: -55.363 flat angles P-C4'-P energy: -36.191 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: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -804.303943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.303943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.303943 (E_RNA) where: Base-Base interactions energy: -543.092 where: short stacking energy: -241.996 Base-Backbone interact. energy: -1.817 local terms energy: -259.394882 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -53.304 flat angles C4'-P-C4' energy: -58.489 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -64.240 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: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -764.097823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.097823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.097823 (E_RNA) where: Base-Base interactions energy: -515.220 where: short stacking energy: -223.626 Base-Backbone interact. energy: -0.634 local terms energy: -248.244038 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -41.595 flat angles C4'-P-C4' energy: -58.231 flat angles P-C4'-P energy: -35.883 tors. eta vs tors. theta energy: -56.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -642.781540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.781540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.781540 (E_RNA) where: Base-Base interactions energy: -400.210 where: short stacking energy: -185.273 Base-Backbone interact. energy: -0.607 local terms energy: -241.964079 where: bonds (distance) C4'-P energy: -53.116 bonds (distance) P-C4' energy: -49.316 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -38.726 tors. eta vs tors. theta energy: -45.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -620.799647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.799647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.799647 (E_RNA) where: Base-Base interactions energy: -411.861 where: short stacking energy: -176.405 Base-Backbone interact. energy: -1.273 local terms energy: -207.665938 where: bonds (distance) C4'-P energy: -51.915 bonds (distance) P-C4' energy: -42.672 flat angles C4'-P-C4' energy: -56.933 flat angles P-C4'-P energy: -23.560 tors. eta vs tors. theta energy: -32.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -501.314359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.314359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.314359 (E_RNA) where: Base-Base interactions energy: -297.110 where: short stacking energy: -143.895 Base-Backbone interact. energy: -0.944 local terms energy: -203.260504 where: bonds (distance) C4'-P energy: -41.089 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -40.298 flat angles P-C4'-P energy: -38.402 tors. eta vs tors. theta energy: -24.501 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: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1015.892793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.892793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.892793 (E_RNA) where: Base-Base interactions energy: -692.524 where: short stacking energy: -307.826 Base-Backbone interact. energy: -0.363 local terms energy: -323.005746 where: bonds (distance) C4'-P energy: -61.999 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -66.073 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -87.999 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: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1014.034460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.034460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.034460 (E_RNA) where: Base-Base interactions energy: -706.709 where: short stacking energy: -289.076 Base-Backbone interact. energy: 1.048 local terms energy: -308.373765 where: bonds (distance) C4'-P energy: -57.103 bonds (distance) P-C4' energy: -55.654 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -49.194 tors. eta vs tors. theta energy: -74.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -963.237809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.237809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.237809 (E_RNA) where: Base-Base interactions energy: -657.725 where: short stacking energy: -284.830 Base-Backbone interact. energy: -0.250 local terms energy: -305.263331 where: bonds (distance) C4'-P energy: -61.276 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -65.765 flat angles P-C4'-P energy: -37.754 tors. eta vs tors. theta energy: -75.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -958.084639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.084639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.084639 (E_RNA) where: Base-Base interactions energy: -678.447 where: short stacking energy: -270.211 Base-Backbone interact. energy: -1.124 local terms energy: -278.513403 where: bonds (distance) C4'-P energy: -50.418 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -32.913 tors. eta vs tors. theta energy: -67.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -846.190337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.190337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.190337 (E_RNA) where: Base-Base interactions energy: -585.125 where: short stacking energy: -243.381 Base-Backbone interact. energy: -1.751 local terms energy: -259.314570 where: bonds (distance) C4'-P energy: -50.024 bonds (distance) P-C4' energy: -54.797 flat angles C4'-P-C4' energy: -50.402 flat angles P-C4'-P energy: -39.059 tors. eta vs tors. theta energy: -65.033 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: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -764.108917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.108917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.108917 (E_RNA) where: Base-Base interactions energy: -520.474 where: short stacking energy: -218.322 Base-Backbone interact. energy: -1.352 local terms energy: -242.282924 where: bonds (distance) C4'-P energy: -39.888 bonds (distance) P-C4' energy: -53.324 flat angles C4'-P-C4' energy: -61.908 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -45.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -728.619361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.619361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.619361 (E_RNA) where: Base-Base interactions energy: -484.896 where: short stacking energy: -221.335 Base-Backbone interact. energy: -1.452 local terms energy: -242.271612 where: bonds (distance) C4'-P energy: -51.115 bonds (distance) P-C4' energy: -49.445 flat angles C4'-P-C4' energy: -49.589 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -54.104 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: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -687.606103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.606103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.606103 (E_RNA) where: Base-Base interactions energy: -444.807 where: short stacking energy: -196.907 Base-Backbone interact. energy: -0.385 local terms energy: -242.414673 where: bonds (distance) C4'-P energy: -47.400 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -52.898 flat angles P-C4'-P energy: -34.011 tors. eta vs tors. theta energy: -48.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -586.591226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.591226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.591226 (E_RNA) where: Base-Base interactions energy: -363.429 where: short stacking energy: -167.459 Base-Backbone interact. energy: 0.306 local terms energy: -223.468228 where: bonds (distance) C4'-P energy: -52.494 bonds (distance) P-C4' energy: -56.801 flat angles C4'-P-C4' energy: -46.497 flat angles P-C4'-P energy: -26.198 tors. eta vs tors. theta energy: -41.478 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: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -489.059285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.059285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.059285 (E_RNA) where: Base-Base interactions energy: -288.475 where: short stacking energy: -133.806 Base-Backbone interact. energy: 0.499 local terms energy: -201.083065 where: bonds (distance) C4'-P energy: -49.659 bonds (distance) P-C4' energy: -48.999 flat angles C4'-P-C4' energy: -50.108 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: -17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1017.845179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.845179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.845179 (E_RNA) where: Base-Base interactions energy: -726.997 where: short stacking energy: -300.478 Base-Backbone interact. energy: -1.979 local terms energy: -288.869252 where: bonds (distance) C4'-P energy: -52.085 bonds (distance) P-C4' energy: -49.582 flat angles C4'-P-C4' energy: -68.422 flat angles P-C4'-P energy: -36.373 tors. eta vs tors. theta energy: -82.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -989.871498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.871498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.871498 (E_RNA) where: Base-Base interactions energy: -685.334 where: short stacking energy: -307.143 Base-Backbone interact. energy: -4.029 local terms energy: -300.508539 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -50.228 flat angles C4'-P-C4' energy: -64.493 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -85.504 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: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -989.074168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.074168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.074168 (E_RNA) where: Base-Base interactions energy: -696.414 where: short stacking energy: -283.092 Base-Backbone interact. energy: 1.858 local terms energy: -294.518665 where: bonds (distance) C4'-P energy: -59.514 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -62.471 flat angles P-C4'-P energy: -32.963 tors. eta vs tors. theta energy: -79.267 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: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -937.930734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.930734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.930734 (E_RNA) where: Base-Base interactions energy: -658.381 where: short stacking energy: -280.385 Base-Backbone interact. energy: 1.553 local terms energy: -281.103222 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -53.050 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -37.702 tors. eta vs tors. theta energy: -74.215 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: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -844.117733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.117733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.117733 (E_RNA) where: Base-Base interactions energy: -589.016 where: short stacking energy: -244.922 Base-Backbone interact. energy: 1.603 local terms energy: -256.703959 where: bonds (distance) C4'-P energy: -48.670 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -56.396 flat angles P-C4'-P energy: -40.175 tors. eta vs tors. theta energy: -53.766 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: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -773.688364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.688364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.688364 (E_RNA) where: Base-Base interactions energy: -518.790 where: short stacking energy: -241.853 Base-Backbone interact. energy: -0.260 local terms energy: -254.638538 where: bonds (distance) C4'-P energy: -44.740 bonds (distance) P-C4' energy: -45.556 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -39.288 tors. eta vs tors. theta energy: -67.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -751.728193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.728193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.728193 (E_RNA) where: Base-Base interactions energy: -506.922 where: short stacking energy: -237.493 Base-Backbone interact. energy: 2.707 local terms energy: -247.513764 where: bonds (distance) C4'-P energy: -50.290 bonds (distance) P-C4' energy: -48.079 flat angles C4'-P-C4' energy: -58.076 flat angles P-C4'-P energy: -29.008 tors. eta vs tors. theta energy: -62.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -698.602057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.602057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.602057 (E_RNA) where: Base-Base interactions energy: -471.760 where: short stacking energy: -208.670 Base-Backbone interact. energy: -0.817 local terms energy: -226.024851 where: bonds (distance) C4'-P energy: -43.365 bonds (distance) P-C4' energy: -48.531 flat angles C4'-P-C4' energy: -51.339 flat angles P-C4'-P energy: -32.402 tors. eta vs tors. theta energy: -50.389 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: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -593.136705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.136705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.136705 (E_RNA) where: Base-Base interactions energy: -378.433 where: short stacking energy: -160.292 Base-Backbone interact. energy: 2.384 local terms energy: -217.087813 where: bonds (distance) C4'-P energy: -46.227 bonds (distance) P-C4' energy: -54.874 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -12.772 tors. eta vs tors. theta energy: -44.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -474.677585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.677585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.677585 (E_RNA) where: Base-Base interactions energy: -264.812 where: short stacking energy: -114.887 Base-Backbone interact. energy: 0.484 local terms energy: -210.349599 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -51.994 flat angles P-C4'-P energy: -32.214 tors. eta vs tors. theta energy: -6.723 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: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1025.916586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.916586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.916586 (E_RNA) where: Base-Base interactions energy: -721.301 where: short stacking energy: -293.918 Base-Backbone interact. energy: -0.225 local terms energy: -304.390683 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -32.394 tors. eta vs tors. theta energy: -83.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -978.443162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.443162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.443162 (E_RNA) where: Base-Base interactions energy: -668.694 where: short stacking energy: -286.787 Base-Backbone interact. energy: -1.292 local terms energy: -308.456562 where: bonds (distance) C4'-P energy: -57.626 bonds (distance) P-C4' energy: -53.488 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -83.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -982.800161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.800161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.800161 (E_RNA) where: Base-Base interactions energy: -701.725 where: short stacking energy: -284.716 Base-Backbone interact. energy: -0.633 local terms energy: -280.441538 where: bonds (distance) C4'-P energy: -55.324 bonds (distance) P-C4' energy: -42.200 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -74.088 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: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -942.771252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.771252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.771252 (E_RNA) where: Base-Base interactions energy: -665.778 where: short stacking energy: -283.597 Base-Backbone interact. energy: -1.652 local terms energy: -275.341412 where: bonds (distance) C4'-P energy: -49.670 bonds (distance) P-C4' energy: -51.891 flat angles C4'-P-C4' energy: -57.467 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -75.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -900.541893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.541893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.541893 (E_RNA) where: Base-Base interactions energy: -641.139 where: short stacking energy: -266.599 Base-Backbone interact. energy: -0.880 local terms energy: -258.522497 where: bonds (distance) C4'-P energy: -40.104 bonds (distance) P-C4' energy: -56.669 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -40.388 tors. eta vs tors. theta energy: -61.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -779.508039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.508039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.508039 (E_RNA) where: Base-Base interactions energy: -548.382 where: short stacking energy: -228.593 Base-Backbone interact. energy: -0.255 local terms energy: -230.870934 where: bonds (distance) C4'-P energy: -44.998 bonds (distance) P-C4' energy: -52.453 flat angles C4'-P-C4' energy: -52.751 flat angles P-C4'-P energy: -31.738 tors. eta vs tors. theta energy: -48.931 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: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -752.824502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.824502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.824502 (E_RNA) where: Base-Base interactions energy: -515.235 where: short stacking energy: -221.402 Base-Backbone interact. energy: -1.309 local terms energy: -236.281384 where: bonds (distance) C4'-P energy: -43.341 bonds (distance) P-C4' energy: -40.220 flat angles C4'-P-C4' energy: -53.186 flat angles P-C4'-P energy: -45.559 tors. eta vs tors. theta energy: -53.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -623.861351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.861351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.861351 (E_RNA) where: Base-Base interactions energy: -406.137 where: short stacking energy: -193.415 Base-Backbone interact. energy: 0.381 local terms energy: -218.104898 where: bonds (distance) C4'-P energy: -40.222 bonds (distance) P-C4' energy: -55.710 flat angles C4'-P-C4' energy: -44.495 flat angles P-C4'-P energy: -35.044 tors. eta vs tors. theta energy: -42.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -582.149450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.149450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.149450 (E_RNA) where: Base-Base interactions energy: -388.637 where: short stacking energy: -187.525 Base-Backbone interact. energy: 2.054 local terms energy: -195.566647 where: bonds (distance) C4'-P energy: -48.020 bonds (distance) P-C4' energy: -41.271 flat angles C4'-P-C4' energy: -53.899 flat angles P-C4'-P energy: -26.260 tors. eta vs tors. theta energy: -26.117 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: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -464.544445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.544445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.544445 (E_RNA) where: Base-Base interactions energy: -268.723 where: short stacking energy: -124.352 Base-Backbone interact. energy: -0.321 local terms energy: -195.501046 where: bonds (distance) C4'-P energy: -43.911 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -45.712 flat angles P-C4'-P energy: -34.650 tors. eta vs tors. theta energy: -11.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1017.602150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.602150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.602150 (E_RNA) where: Base-Base interactions energy: -701.591 where: short stacking energy: -284.306 Base-Backbone interact. energy: -1.077 local terms energy: -314.933562 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -42.324 tors. eta vs tors. theta energy: -86.610 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: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1011.289901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.289901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.289901 (E_RNA) where: Base-Base interactions energy: -719.923 where: short stacking energy: -281.372 Base-Backbone interact. energy: 2.631 local terms energy: -293.997492 where: bonds (distance) C4'-P energy: -58.297 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -77.318 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: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -972.289294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.289294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.289294 (E_RNA) where: Base-Base interactions energy: -694.095 where: short stacking energy: -296.226 Base-Backbone interact. energy: 0.134 local terms energy: -278.327898 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -54.998 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -31.417 tors. eta vs tors. theta energy: -83.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -938.500951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.500951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.500951 (E_RNA) where: Base-Base interactions energy: -662.209 where: short stacking energy: -282.465 Base-Backbone interact. energy: 0.246 local terms energy: -276.537490 where: bonds (distance) C4'-P energy: -54.092 bonds (distance) P-C4' energy: -55.330 flat angles C4'-P-C4' energy: -56.905 flat angles P-C4'-P energy: -39.923 tors. eta vs tors. theta energy: -70.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -897.412719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.412719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.412719 (E_RNA) where: Base-Base interactions energy: -645.709 where: short stacking energy: -253.266 Base-Backbone interact. energy: -0.435 local terms energy: -251.268837 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -50.568 flat angles C4'-P-C4' energy: -54.075 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: -60.294 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: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -736.173245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.173245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.173245 (E_RNA) where: Base-Base interactions energy: -493.228 where: short stacking energy: -230.441 Base-Backbone interact. energy: -1.362 local terms energy: -241.583882 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -42.476 flat angles C4'-P-C4' energy: -52.731 flat angles P-C4'-P energy: -38.607 tors. eta vs tors. theta energy: -57.829 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -777.433191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.433191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.433191 (E_RNA) where: Base-Base interactions energy: -530.945 where: short stacking energy: -233.578 Base-Backbone interact. energy: 1.734 local terms energy: -248.222598 where: bonds (distance) C4'-P energy: -58.383 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -45.757 flat angles P-C4'-P energy: -31.512 tors. eta vs tors. theta energy: -51.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -601.628708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.628708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.628708 (E_RNA) where: Base-Base interactions energy: -386.019 where: short stacking energy: -160.727 Base-Backbone interact. energy: -0.552 local terms energy: -215.057646 where: bonds (distance) C4'-P energy: -50.570 bonds (distance) P-C4' energy: -47.185 flat angles C4'-P-C4' energy: -46.769 flat angles P-C4'-P energy: -36.044 tors. eta vs tors. theta energy: -34.490 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: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -502.942977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.942977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.942977 (E_RNA) where: Base-Base interactions energy: -304.504 where: short stacking energy: -127.567 Base-Backbone interact. energy: -1.831 local terms energy: -196.608057 where: bonds (distance) C4'-P energy: -39.576 bonds (distance) P-C4' energy: -61.315 flat angles C4'-P-C4' energy: -50.529 flat angles P-C4'-P energy: -34.174 tors. eta vs tors. theta energy: -11.014 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -475.470349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.470349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.470349 (E_RNA) where: Base-Base interactions energy: -284.436 where: short stacking energy: -134.939 Base-Backbone interact. energy: 0.824 local terms energy: -191.858608 where: bonds (distance) C4'-P energy: -43.460 bonds (distance) P-C4' energy: -44.864 flat angles C4'-P-C4' energy: -56.242 flat angles P-C4'-P energy: -35.124 tors. eta vs tors. theta energy: -12.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1010.089766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.089766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.089766 (E_RNA) where: Base-Base interactions energy: -715.971 where: short stacking energy: -295.613 Base-Backbone interact. energy: -1.690 local terms energy: -292.428957 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -51.227 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -44.958 tors. eta vs tors. theta energy: -80.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -988.704993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.704993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.704993 (E_RNA) where: Base-Base interactions energy: -700.874 where: short stacking energy: -287.064 Base-Backbone interact. energy: 0.673 local terms energy: -288.504661 where: bonds (distance) C4'-P energy: -57.160 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -69.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -978.645815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.645815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.645815 (E_RNA) where: Base-Base interactions energy: -700.227 where: short stacking energy: -292.724 Base-Backbone interact. energy: -1.584 local terms energy: -276.835165 where: bonds (distance) C4'-P energy: -46.601 bonds (distance) P-C4' energy: -46.915 flat angles C4'-P-C4' energy: -63.197 flat angles P-C4'-P energy: -32.603 tors. eta vs tors. theta energy: -87.520 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: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -918.210853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.210853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.210853 (E_RNA) where: Base-Base interactions energy: -631.770 where: short stacking energy: -255.527 Base-Backbone interact. energy: -1.078 local terms energy: -285.362489 where: bonds (distance) C4'-P energy: -53.550 bonds (distance) P-C4' energy: -58.331 flat angles C4'-P-C4' energy: -59.748 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -70.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -898.005150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.005150 (E_RNA) where: Base-Base interactions energy: -635.978 where: short stacking energy: -252.311 Base-Backbone interact. energy: -1.762 local terms energy: -260.265481 where: bonds (distance) C4'-P energy: -51.066 bonds (distance) P-C4' energy: -48.551 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: -67.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -763.600573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.600573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.600573 (E_RNA) where: Base-Base interactions energy: -530.531 where: short stacking energy: -225.909 Base-Backbone interact. energy: -2.749 local terms energy: -230.320388 where: bonds (distance) C4'-P energy: -36.403 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -54.752 flat angles P-C4'-P energy: -29.679 tors. eta vs tors. theta energy: -53.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -759.604306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.604306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.604306 (E_RNA) where: Base-Base interactions energy: -503.005 where: short stacking energy: -219.092 Base-Backbone interact. energy: -0.727 local terms energy: -255.871573 where: bonds (distance) C4'-P energy: -41.286 bonds (distance) P-C4' energy: -56.535 flat angles C4'-P-C4' energy: -59.139 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -57.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -631.554719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.554719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.554719 (E_RNA) where: Base-Base interactions energy: -407.127 where: short stacking energy: -197.040 Base-Backbone interact. energy: 0.583 local terms energy: -225.010936 where: bonds (distance) C4'-P energy: -49.326 bonds (distance) P-C4' energy: -42.629 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -31.773 tors. eta vs tors. theta energy: -40.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -485.531025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.531025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.531025 (E_RNA) where: Base-Base interactions energy: -295.165 where: short stacking energy: -128.584 Base-Backbone interact. energy: -1.333 local terms energy: -189.033137 where: bonds (distance) C4'-P energy: -44.492 bonds (distance) P-C4' energy: -49.412 flat angles C4'-P-C4' energy: -51.260 flat angles P-C4'-P energy: -27.226 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -486.785080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.785080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.785080 (E_RNA) where: Base-Base interactions energy: -308.073 where: short stacking energy: -141.337 Base-Backbone interact. energy: 0.144 local terms energy: -178.856119 where: bonds (distance) C4'-P energy: -44.734 bonds (distance) P-C4' energy: -54.816 flat angles C4'-P-C4' energy: -43.113 flat angles P-C4'-P energy: -28.303 tors. eta vs tors. theta energy: -7.889 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: 305 Temperature: 0.900000 Total energy: -1033.227266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.227266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.227266 (E_RNA) where: Base-Base interactions energy: -713.864 where: short stacking energy: -281.904 Base-Backbone interact. energy: -0.529 local terms energy: -318.833978 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -84.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -999.907859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.907859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.907859 (E_RNA) where: Base-Base interactions energy: -675.089 where: short stacking energy: -276.723 Base-Backbone interact. energy: -1.119 local terms energy: -323.700350 where: bonds (distance) C4'-P energy: -68.775 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -67.653 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -83.372 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: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -980.409291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.409291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.409291 (E_RNA) where: Base-Base interactions energy: -691.616 where: short stacking energy: -285.477 Base-Backbone interact. energy: 2.920 local terms energy: -291.713419 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -56.328 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -35.626 tors. eta vs tors. theta energy: -76.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -933.693482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.693482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.693482 (E_RNA) where: Base-Base interactions energy: -636.348 where: short stacking energy: -255.379 Base-Backbone interact. energy: -2.034 local terms energy: -295.311854 where: bonds (distance) C4'-P energy: -60.246 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -65.184 flat angles P-C4'-P energy: -42.450 tors. eta vs tors. theta energy: -61.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -927.837940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.837940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.837940 (E_RNA) where: Base-Base interactions energy: -648.501 where: short stacking energy: -268.105 Base-Backbone interact. energy: -1.048 local terms energy: -278.289668 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -65.463 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -73.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -758.003760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.003760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.003760 (E_RNA) where: Base-Base interactions energy: -504.837 where: short stacking energy: -226.862 Base-Backbone interact. energy: -1.210 local terms energy: -251.957120 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -48.205 flat angles C4'-P-C4' energy: -65.088 flat angles P-C4'-P energy: -30.687 tors. eta vs tors. theta energy: -59.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -733.349923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.349923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.349923 (E_RNA) where: Base-Base interactions energy: -484.256 where: short stacking energy: -213.477 Base-Backbone interact. energy: -1.429 local terms energy: -247.664699 where: bonds (distance) C4'-P energy: -47.565 bonds (distance) P-C4' energy: -53.182 flat angles C4'-P-C4' energy: -55.894 flat angles P-C4'-P energy: -30.087 tors. eta vs tors. theta energy: -60.936 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: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -563.851164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.851164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.851164 (E_RNA) where: Base-Base interactions energy: -382.755 where: short stacking energy: -175.621 Base-Backbone interact. energy: -0.096 local terms energy: -181.000017 where: bonds (distance) C4'-P energy: -34.688 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -52.060 flat angles P-C4'-P energy: -17.582 tors. eta vs tors. theta energy: -19.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -520.334903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.334903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.334903 (E_RNA) where: Base-Base interactions energy: -316.104 where: short stacking energy: -139.504 Base-Backbone interact. energy: -0.642 local terms energy: -203.588619 where: bonds (distance) C4'-P energy: -50.387 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -50.100 flat angles P-C4'-P energy: -27.069 tors. eta vs tors. theta energy: -22.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -484.993486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.993486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.993486 (E_RNA) where: Base-Base interactions energy: -302.000 where: short stacking energy: -148.184 Base-Backbone interact. energy: -0.111 local terms energy: -182.882982 where: bonds (distance) C4'-P energy: -40.331 bonds (distance) P-C4' energy: -50.046 flat angles C4'-P-C4' energy: -34.918 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -29.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1039.782345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.782345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.782345 (E_RNA) where: Base-Base interactions energy: -725.060 where: short stacking energy: -310.311 Base-Backbone interact. energy: -2.436 local terms energy: -312.286615 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -71.236 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -85.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -999.977392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.977392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.977392 (E_RNA) where: Base-Base interactions energy: -692.268 where: short stacking energy: -286.865 Base-Backbone interact. energy: -1.572 local terms energy: -306.137822 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -58.852 flat angles P-C4'-P energy: -38.481 tors. eta vs tors. theta energy: -86.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -986.239369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.239369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.239369 (E_RNA) where: Base-Base interactions energy: -707.063 where: short stacking energy: -295.233 Base-Backbone interact. energy: 4.194 local terms energy: -283.370822 where: bonds (distance) C4'-P energy: -47.843 bonds (distance) P-C4' energy: -57.332 flat angles C4'-P-C4' energy: -64.871 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: -78.260 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: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -917.549484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.549484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.549484 (E_RNA) where: Base-Base interactions energy: -638.469 where: short stacking energy: -251.167 Base-Backbone interact. energy: -1.130 local terms energy: -277.950580 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -55.884 flat angles C4'-P-C4' energy: -62.528 flat angles P-C4'-P energy: -39.325 tors. eta vs tors. theta energy: -65.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -930.292707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.292707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.292707 (E_RNA) where: Base-Base interactions energy: -653.480 where: short stacking energy: -263.387 Base-Backbone interact. energy: -0.991 local terms energy: -275.821715 where: bonds (distance) C4'-P energy: -53.451 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -58.199 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -72.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -742.365207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.365207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.365207 (E_RNA) where: Base-Base interactions energy: -487.036 where: short stacking energy: -231.920 Base-Backbone interact. energy: 1.980 local terms energy: -257.309618 where: bonds (distance) C4'-P energy: -45.234 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -59.605 flat angles P-C4'-P energy: -40.754 tors. eta vs tors. theta energy: -58.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -757.217789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.217789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.217789 (E_RNA) where: Base-Base interactions energy: -520.531 where: short stacking energy: -220.084 Base-Backbone interact. energy: -1.815 local terms energy: -234.871437 where: bonds (distance) C4'-P energy: -30.850 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -57.443 flat angles P-C4'-P energy: -34.882 tors. eta vs tors. theta energy: -57.379 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: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -620.399308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.399308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.399308 (E_RNA) where: Base-Base interactions energy: -388.062 where: short stacking energy: -184.968 Base-Backbone interact. energy: 0.120 local terms energy: -232.457328 where: bonds (distance) C4'-P energy: -48.410 bonds (distance) P-C4' energy: -52.303 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -35.398 tors. eta vs tors. theta energy: -34.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -533.008106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.008106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.008106 (E_RNA) where: Base-Base interactions energy: -318.658 where: short stacking energy: -162.423 Base-Backbone interact. energy: -0.033 local terms energy: -214.317555 where: bonds (distance) C4'-P energy: -52.357 bonds (distance) P-C4' energy: -53.792 flat angles C4'-P-C4' energy: -50.760 flat angles P-C4'-P energy: -29.712 tors. eta vs tors. theta energy: -27.697 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: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -475.482117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.482117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.482117 (E_RNA) where: Base-Base interactions energy: -278.090 where: short stacking energy: -140.238 Base-Backbone interact. energy: -0.939 local terms energy: -196.453561 where: bonds (distance) C4'-P energy: -48.024 bonds (distance) P-C4' energy: -47.745 flat angles C4'-P-C4' energy: -50.785 flat angles P-C4'-P energy: -24.134 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: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1038.938077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.938077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.938077 (E_RNA) where: Base-Base interactions energy: -724.360 where: short stacking energy: -300.660 Base-Backbone interact. energy: -0.289 local terms energy: -314.289060 where: bonds (distance) C4'-P energy: -58.521 bonds (distance) P-C4' energy: -68.422 flat angles C4'-P-C4' energy: -61.266 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -83.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1013.113810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.113810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.113810 (E_RNA) where: Base-Base interactions energy: -719.049 where: short stacking energy: -270.695 Base-Backbone interact. energy: -3.220 local terms energy: -290.845340 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -64.535 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -71.372 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: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -969.428372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.428372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.428372 (E_RNA) where: Base-Base interactions energy: -678.031 where: short stacking energy: -289.370 Base-Backbone interact. energy: 0.650 local terms energy: -292.047401 where: bonds (distance) C4'-P energy: -49.548 bonds (distance) P-C4' energy: -57.486 flat angles C4'-P-C4' energy: -60.125 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -78.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -932.533520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.533520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.533520 (E_RNA) where: Base-Base interactions energy: -651.883 where: short stacking energy: -268.060 Base-Backbone interact. energy: -1.725 local terms energy: -278.926085 where: bonds (distance) C4'-P energy: -48.254 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -59.348 flat angles P-C4'-P energy: -39.579 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: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -900.125334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.125334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.125334 (E_RNA) where: Base-Base interactions energy: -646.019 where: short stacking energy: -250.680 Base-Backbone interact. energy: 0.009 local terms energy: -254.115611 where: bonds (distance) C4'-P energy: -39.811 bonds (distance) P-C4' energy: -50.462 flat angles C4'-P-C4' energy: -51.170 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -68.451 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: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -773.301794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.301794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.301794 (E_RNA) where: Base-Base interactions energy: -520.905 where: short stacking energy: -235.989 Base-Backbone interact. energy: 1.509 local terms energy: -253.905763 where: bonds (distance) C4'-P energy: -50.209 bonds (distance) P-C4' energy: -53.500 flat angles C4'-P-C4' energy: -51.091 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -59.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -787.303545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.303545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.303545 (E_RNA) where: Base-Base interactions energy: -523.789 where: short stacking energy: -216.327 Base-Backbone interact. energy: 0.702 local terms energy: -264.217247 where: bonds (distance) C4'-P energy: -50.643 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -57.002 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -57.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -571.522217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.522217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.522217 (E_RNA) where: Base-Base interactions energy: -358.303 where: short stacking energy: -166.105 Base-Backbone interact. energy: -2.375 local terms energy: -210.844048 where: bonds (distance) C4'-P energy: -42.686 bonds (distance) P-C4' energy: -57.541 flat angles C4'-P-C4' energy: -53.199 flat angles P-C4'-P energy: -35.042 tors. eta vs tors. theta energy: -22.376 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: 9, replica: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -499.937876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.937876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.937876 (E_RNA) where: Base-Base interactions energy: -298.804 where: short stacking energy: -147.064 Base-Backbone interact. energy: 0.359 local terms energy: -201.493478 where: bonds (distance) C4'-P energy: -48.120 bonds (distance) P-C4' energy: -48.157 flat angles C4'-P-C4' energy: -42.819 flat angles P-C4'-P energy: -26.884 tors. eta vs tors. theta energy: -35.514 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: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -473.748742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.748742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.748742 (E_RNA) where: Base-Base interactions energy: -278.195 where: short stacking energy: -137.465 Base-Backbone interact. energy: -1.524 local terms energy: -194.029807 where: bonds (distance) C4'-P energy: -43.888 bonds (distance) P-C4' energy: -46.569 flat angles C4'-P-C4' energy: -53.650 flat angles P-C4'-P energy: -30.158 tors. eta vs tors. theta energy: -19.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1015.347181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.347181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.347181 (E_RNA) where: Base-Base interactions energy: -711.641 where: short stacking energy: -292.535 Base-Backbone interact. energy: -1.322 local terms energy: -302.384056 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -53.304 flat angles C4'-P-C4' energy: -67.451 flat angles P-C4'-P energy: -40.485 tors. eta vs tors. theta energy: -81.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -990.004198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.004198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.004198 (E_RNA) where: Base-Base interactions energy: -700.480 where: short stacking energy: -279.161 Base-Backbone interact. energy: 0.467 local terms energy: -289.991531 where: bonds (distance) C4'-P energy: -59.981 bonds (distance) P-C4' energy: -57.308 flat angles C4'-P-C4' energy: -55.760 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: -70.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -962.353490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.353490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.353490 (E_RNA) where: Base-Base interactions energy: -663.484 where: short stacking energy: -279.264 Base-Backbone interact. energy: -1.384 local terms energy: -297.486112 where: bonds (distance) C4'-P energy: -52.335 bonds (distance) P-C4' energy: -56.452 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -45.147 tors. eta vs tors. theta energy: -82.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -972.533072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.533072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.533072 (E_RNA) where: Base-Base interactions energy: -674.933 where: short stacking energy: -282.996 Base-Backbone interact. energy: -1.873 local terms energy: -295.726249 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -59.942 flat angles C4'-P-C4' energy: -59.347 flat angles P-C4'-P energy: -43.090 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: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -870.593285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.593285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.593285 (E_RNA) where: Base-Base interactions energy: -620.192 where: short stacking energy: -249.484 Base-Backbone interact. energy: -0.957 local terms energy: -249.443569 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -47.374 flat angles C4'-P-C4' energy: -50.369 flat angles P-C4'-P energy: -45.107 tors. eta vs tors. theta energy: -54.350 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: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -788.611620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.611620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.611620 (E_RNA) where: Base-Base interactions energy: -527.685 where: short stacking energy: -255.322 Base-Backbone interact. energy: -0.213 local terms energy: -260.713754 where: bonds (distance) C4'-P energy: -49.204 bonds (distance) P-C4' energy: -51.900 flat angles C4'-P-C4' energy: -65.484 flat angles P-C4'-P energy: -34.594 tors. eta vs tors. theta energy: -59.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -772.944434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.944434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.944434 (E_RNA) where: Base-Base interactions energy: -526.577 where: short stacking energy: -227.002 Base-Backbone interact. energy: -1.646 local terms energy: -244.721902 where: bonds (distance) C4'-P energy: -50.453 bonds (distance) P-C4' energy: -46.325 flat angles C4'-P-C4' energy: -54.366 flat angles P-C4'-P energy: -35.978 tors. eta vs tors. theta energy: -57.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -594.766746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.766746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.766746 (E_RNA) where: Base-Base interactions energy: -377.331 where: short stacking energy: -169.411 Base-Backbone interact. energy: -0.302 local terms energy: -217.133029 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -60.654 flat angles C4'-P-C4' energy: -39.120 flat angles P-C4'-P energy: -35.885 tors. eta vs tors. theta energy: -31.011 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -496.173040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.173040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.173040 (E_RNA) where: Base-Base interactions energy: -325.133 where: short stacking energy: -150.609 Base-Backbone interact. energy: -1.193 local terms energy: -169.846913 where: bonds (distance) C4'-P energy: -34.215 bonds (distance) P-C4' energy: -50.727 flat angles C4'-P-C4' energy: -45.125 flat angles P-C4'-P energy: -20.434 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -467.205671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.205671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.205671 (E_RNA) where: Base-Base interactions energy: -265.708 where: short stacking energy: -144.779 Base-Backbone interact. energy: -0.506 local terms energy: -200.991097 where: bonds (distance) C4'-P energy: -34.798 bonds (distance) P-C4' energy: -41.697 flat angles C4'-P-C4' energy: -54.292 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -33.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1019.708558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.708558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.708558 (E_RNA) where: Base-Base interactions energy: -718.537 where: short stacking energy: -285.047 Base-Backbone interact. energy: -3.476 local terms energy: -297.695443 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -56.228 flat angles C4'-P-C4' energy: -65.210 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -74.526 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1017.207576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.207576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.207576 (E_RNA) where: Base-Base interactions energy: -730.829 where: short stacking energy: -281.064 Base-Backbone interact. energy: 1.884 local terms energy: -288.262848 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -53.366 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -76.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -974.085294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.085294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.085294 (E_RNA) where: Base-Base interactions energy: -677.647 where: short stacking energy: -288.644 Base-Backbone interact. energy: -1.916 local terms energy: -294.521367 where: bonds (distance) C4'-P energy: -52.172 bonds (distance) P-C4' energy: -54.268 flat angles C4'-P-C4' energy: -59.559 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -80.193 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: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -964.544103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.544103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.544103 (E_RNA) where: Base-Base interactions energy: -676.477 where: short stacking energy: -287.867 Base-Backbone interact. energy: 1.743 local terms energy: -289.810027 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -51.120 flat angles C4'-P-C4' energy: -55.941 flat angles P-C4'-P energy: -40.929 tors. eta vs tors. theta energy: -84.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -849.271697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.271697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.271697 (E_RNA) where: Base-Base interactions energy: -580.359 where: short stacking energy: -245.692 Base-Backbone interact. energy: -0.512 local terms energy: -268.400410 where: bonds (distance) C4'-P energy: -53.244 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -51.356 flat angles P-C4'-P energy: -42.484 tors. eta vs tors. theta energy: -62.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -770.051785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.051785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.051785 (E_RNA) where: Base-Base interactions energy: -514.669 where: short stacking energy: -236.959 Base-Backbone interact. energy: -0.020 local terms energy: -255.362757 where: bonds (distance) C4'-P energy: -40.568 bonds (distance) P-C4' energy: -54.859 flat angles C4'-P-C4' energy: -59.746 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -62.578 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: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -750.268832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.268832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.268832 (E_RNA) where: Base-Base interactions energy: -509.200 where: short stacking energy: -220.778 Base-Backbone interact. energy: -1.272 local terms energy: -239.796782 where: bonds (distance) C4'-P energy: -51.225 bonds (distance) P-C4' energy: -40.579 flat angles C4'-P-C4' energy: -57.557 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -51.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -512.429415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.429415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.429415 (E_RNA) where: Base-Base interactions energy: -312.551 where: short stacking energy: -151.356 Base-Backbone interact. energy: -2.620 local terms energy: -197.258655 where: bonds (distance) C4'-P energy: -44.302 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -49.615 flat angles P-C4'-P energy: -26.176 tors. eta vs tors. theta energy: -19.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -553.605256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.605256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.605256 (E_RNA) where: Base-Base interactions energy: -353.763 where: short stacking energy: -154.829 Base-Backbone interact. energy: 1.937 local terms energy: -201.779834 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -41.152 flat angles C4'-P-C4' energy: -50.685 flat angles P-C4'-P energy: -19.010 tors. eta vs tors. theta energy: -27.728 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: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -444.069466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.069466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.069466 (E_RNA) where: Base-Base interactions energy: -255.950 where: short stacking energy: -113.004 Base-Backbone interact. energy: -0.083 local terms energy: -188.036537 where: bonds (distance) C4'-P energy: -50.881 bonds (distance) P-C4' energy: -50.925 flat angles C4'-P-C4' energy: -47.764 flat angles P-C4'-P energy: -23.183 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1012.915528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.915528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.915528 (E_RNA) where: Base-Base interactions energy: -713.345 where: short stacking energy: -274.715 Base-Backbone interact. energy: -1.163 local terms energy: -298.408120 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -56.506 flat angles C4'-P-C4' energy: -63.361 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -80.742 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: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -976.203790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.203790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.203790 (E_RNA) where: Base-Base interactions energy: -684.306 where: short stacking energy: -289.365 Base-Backbone interact. energy: -0.514 local terms energy: -291.383407 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -51.396 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -74.725 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: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -971.451382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.451382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.451382 (E_RNA) where: Base-Base interactions energy: -668.640 where: short stacking energy: -281.842 Base-Backbone interact. energy: -1.071 local terms energy: -301.740079 where: bonds (distance) C4'-P energy: -56.831 bonds (distance) P-C4' energy: -53.125 flat angles C4'-P-C4' energy: -64.235 flat angles P-C4'-P energy: -44.032 tors. eta vs tors. theta energy: -83.517 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: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -934.522780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.522780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.522780 (E_RNA) where: Base-Base interactions energy: -668.299 where: short stacking energy: -270.895 Base-Backbone interact. energy: 0.108 local terms energy: -266.331780 where: bonds (distance) C4'-P energy: -48.550 bonds (distance) P-C4' energy: -47.517 flat angles C4'-P-C4' energy: -54.228 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -76.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -857.204499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.204499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.204499 (E_RNA) where: Base-Base interactions energy: -592.439 where: short stacking energy: -247.849 Base-Backbone interact. energy: -1.907 local terms energy: -262.857927 where: bonds (distance) C4'-P energy: -58.062 bonds (distance) P-C4' energy: -50.124 flat angles C4'-P-C4' energy: -64.928 flat angles P-C4'-P energy: -30.684 tors. eta vs tors. theta energy: -59.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -808.430916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.430916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.430916 (E_RNA) where: Base-Base interactions energy: -544.513 where: short stacking energy: -266.007 Base-Backbone interact. energy: -0.846 local terms energy: -263.071819 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -51.322 flat angles P-C4'-P energy: -32.692 tors. eta vs tors. theta energy: -69.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -755.116569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.116569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.116569 (E_RNA) where: Base-Base interactions energy: -502.721 where: short stacking energy: -215.784 Base-Backbone interact. energy: -1.845 local terms energy: -250.551127 where: bonds (distance) C4'-P energy: -48.784 bonds (distance) P-C4' energy: -49.706 flat angles C4'-P-C4' energy: -57.616 flat angles P-C4'-P energy: -34.656 tors. eta vs tors. theta energy: -59.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -521.046424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.046424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.046424 (E_RNA) where: Base-Base interactions energy: -325.328 where: short stacking energy: -151.514 Base-Backbone interact. energy: 0.975 local terms energy: -196.693896 where: bonds (distance) C4'-P energy: -44.897 bonds (distance) P-C4' energy: -37.657 flat angles C4'-P-C4' energy: -49.368 flat angles P-C4'-P energy: -30.873 tors. eta vs tors. theta energy: -33.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -563.719819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.719819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.719819 (E_RNA) where: Base-Base interactions energy: -351.898 where: short stacking energy: -153.403 Base-Backbone interact. energy: -2.113 local terms energy: -209.708791 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -48.217 flat angles C4'-P-C4' energy: -53.509 flat angles P-C4'-P energy: -28.526 tors. eta vs tors. theta energy: -25.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -383.216445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.216445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.216445 (E_RNA) where: Base-Base interactions energy: -227.491 where: short stacking energy: -119.761 Base-Backbone interact. energy: 1.283 local terms energy: -157.008237 where: bonds (distance) C4'-P energy: -34.221 bonds (distance) P-C4' energy: -46.188 flat angles C4'-P-C4' energy: -44.519 flat angles P-C4'-P energy: -26.205 tors. eta vs tors. theta energy: -5.874 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1032.696452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.696452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.696452 (E_RNA) where: Base-Base interactions energy: -729.360 where: short stacking energy: -295.058 Base-Backbone interact. energy: 0.186 local terms energy: -303.521865 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -56.065 flat angles C4'-P-C4' energy: -66.579 flat angles P-C4'-P energy: -38.250 tors. eta vs tors. theta energy: -84.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1000.833977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.833977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.833977 (E_RNA) where: Base-Base interactions energy: -685.946 where: short stacking energy: -304.552 Base-Backbone interact. energy: -1.818 local terms energy: -313.070606 where: bonds (distance) C4'-P energy: -56.148 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -89.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -984.570287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.570287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.570287 (E_RNA) where: Base-Base interactions energy: -688.273 where: short stacking energy: -278.149 Base-Backbone interact. energy: -1.750 local terms energy: -294.547789 where: bonds (distance) C4'-P energy: -54.320 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -57.040 flat angles P-C4'-P energy: -36.133 tors. eta vs tors. theta energy: -82.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -926.200065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.200065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.200065 (E_RNA) where: Base-Base interactions energy: -652.157 where: short stacking energy: -258.007 Base-Backbone interact. energy: 0.224 local terms energy: -274.266812 where: bonds (distance) C4'-P energy: -51.897 bonds (distance) P-C4' energy: -50.395 flat angles C4'-P-C4' energy: -60.962 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -67.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -874.854535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.854535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.854535 (E_RNA) where: Base-Base interactions energy: -627.312 where: short stacking energy: -251.486 Base-Backbone interact. energy: -0.244 local terms energy: -247.298603 where: bonds (distance) C4'-P energy: -47.233 bonds (distance) P-C4' energy: -42.522 flat angles C4'-P-C4' energy: -59.952 flat angles P-C4'-P energy: -34.045 tors. eta vs tors. theta energy: -63.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -814.568050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.568050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.568050 (E_RNA) where: Base-Base interactions energy: -556.184 where: short stacking energy: -239.965 Base-Backbone interact. energy: -0.273 local terms energy: -258.111076 where: bonds (distance) C4'-P energy: -43.834 bonds (distance) P-C4' energy: -64.829 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -31.745 tors. eta vs tors. theta energy: -58.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -736.506258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.506258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.506258 (E_RNA) where: Base-Base interactions energy: -505.905 where: short stacking energy: -220.282 Base-Backbone interact. energy: -0.782 local terms energy: -229.819961 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -49.645 flat angles C4'-P-C4' energy: -48.590 flat angles P-C4'-P energy: -34.468 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: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -617.365570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.365570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.365570 (E_RNA) where: Base-Base interactions energy: -375.777 where: short stacking energy: -177.876 Base-Backbone interact. energy: -2.211 local terms energy: -239.377309 where: bonds (distance) C4'-P energy: -50.788 bonds (distance) P-C4' energy: -58.724 flat angles C4'-P-C4' energy: -50.027 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -39.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -507.741441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.741441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.741441 (E_RNA) where: Base-Base interactions energy: -321.220 where: short stacking energy: -148.340 Base-Backbone interact. energy: -1.434 local terms energy: -185.087301 where: bonds (distance) C4'-P energy: -46.016 bonds (distance) P-C4' energy: -45.675 flat angles C4'-P-C4' energy: -38.347 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: -21.863 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: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -419.081133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.081133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.081133 (E_RNA) where: Base-Base interactions energy: -252.518 where: short stacking energy: -116.808 Base-Backbone interact. energy: 0.495 local terms energy: -167.058662 where: bonds (distance) C4'-P energy: -52.413 bonds (distance) P-C4' energy: -49.171 flat angles C4'-P-C4' energy: -35.455 flat angles P-C4'-P energy: -26.669 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1024.213242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.213242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.213242 (E_RNA) where: Base-Base interactions energy: -726.400 where: short stacking energy: -298.287 Base-Backbone interact. energy: -1.220 local terms energy: -296.593482 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -56.116 flat angles P-C4'-P energy: -42.006 tors. eta vs tors. theta energy: -83.913 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: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -995.471717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.471717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.471717 (E_RNA) where: Base-Base interactions energy: -687.585 where: short stacking energy: -306.287 Base-Backbone interact. energy: -0.609 local terms energy: -307.277948 where: bonds (distance) C4'-P energy: -68.103 bonds (distance) P-C4' energy: -48.853 flat angles C4'-P-C4' energy: -60.041 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -88.110 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: 312 Temperature: 1.000000 Total energy: -968.373202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.373202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.373202 (E_RNA) where: Base-Base interactions energy: -673.972 where: short stacking energy: -279.399 Base-Backbone interact. energy: -0.390 local terms energy: -294.010917 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -58.072 flat angles P-C4'-P energy: -45.725 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: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -936.171263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.171263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.171263 (E_RNA) where: Base-Base interactions energy: -652.516 where: short stacking energy: -259.495 Base-Backbone interact. energy: -0.847 local terms energy: -282.808549 where: bonds (distance) C4'-P energy: -49.609 bonds (distance) P-C4' energy: -58.043 flat angles C4'-P-C4' energy: -66.588 flat angles P-C4'-P energy: -36.238 tors. eta vs tors. theta energy: -72.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -868.981823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.981823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.981823 (E_RNA) where: Base-Base interactions energy: -624.776 where: short stacking energy: -252.525 Base-Backbone interact. energy: -2.017 local terms energy: -242.189438 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -37.490 flat angles C4'-P-C4' energy: -56.966 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: -57.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -796.253358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.253358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.253358 (E_RNA) where: Base-Base interactions energy: -550.939 where: short stacking energy: -242.947 Base-Backbone interact. energy: -0.294 local terms energy: -245.020481 where: bonds (distance) C4'-P energy: -51.322 bonds (distance) P-C4' energy: -47.698 flat angles C4'-P-C4' energy: -55.512 flat angles P-C4'-P energy: -22.569 tors. eta vs tors. theta energy: -67.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -704.203462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.203462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.203462 (E_RNA) where: Base-Base interactions energy: -483.344 where: short stacking energy: -217.457 Base-Backbone interact. energy: -1.742 local terms energy: -219.117607 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -53.300 flat angles C4'-P-C4' energy: -47.574 flat angles P-C4'-P energy: -17.634 tors. eta vs tors. theta energy: -48.445 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: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -591.601546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.601546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.601546 (E_RNA) where: Base-Base interactions energy: -411.532 where: short stacking energy: -172.101 Base-Backbone interact. energy: 0.333 local terms energy: -180.402635 where: bonds (distance) C4'-P energy: -39.545 bonds (distance) P-C4' energy: -52.476 flat angles C4'-P-C4' energy: -32.702 flat angles P-C4'-P energy: -29.851 tors. eta vs tors. theta energy: -25.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -505.148343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.148343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.148343 (E_RNA) where: Base-Base interactions energy: -311.043 where: short stacking energy: -137.974 Base-Backbone interact. energy: -0.530 local terms energy: -193.575479 where: bonds (distance) C4'-P energy: -44.442 bonds (distance) P-C4' energy: -42.484 flat angles C4'-P-C4' energy: -52.381 flat angles P-C4'-P energy: -35.970 tors. eta vs tors. theta energy: -18.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -426.749156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.749156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.749156 (E_RNA) where: Base-Base interactions energy: -240.070 where: short stacking energy: -121.446 Base-Backbone interact. energy: -0.396 local terms energy: -186.282737 where: bonds (distance) C4'-P energy: -51.374 bonds (distance) P-C4' energy: -50.402 flat angles C4'-P-C4' energy: -51.770 flat angles P-C4'-P energy: -24.615 tors. eta vs tors. theta energy: -8.121 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: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1020.660912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.660912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.660912 (E_RNA) where: Base-Base interactions energy: -719.091 where: short stacking energy: -299.167 Base-Backbone interact. energy: -0.805 local terms energy: -300.764843 where: bonds (distance) C4'-P energy: -55.057 bonds (distance) P-C4' energy: -50.769 flat angles C4'-P-C4' energy: -67.583 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -84.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -997.547523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.547523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.547523 (E_RNA) where: Base-Base interactions energy: -695.983 where: short stacking energy: -299.731 Base-Backbone interact. energy: -0.901 local terms energy: -300.664362 where: bonds (distance) C4'-P energy: -47.299 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -63.312 flat angles P-C4'-P energy: -43.568 tors. eta vs tors. theta energy: -85.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -973.287472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.287472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.287472 (E_RNA) where: Base-Base interactions energy: -672.855 where: short stacking energy: -289.813 Base-Backbone interact. energy: -1.921 local terms energy: -298.511295 where: bonds (distance) C4'-P energy: -53.848 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -38.238 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: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -902.935675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.935675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.935675 (E_RNA) where: Base-Base interactions energy: -638.501 where: short stacking energy: -268.180 Base-Backbone interact. energy: -0.832 local terms energy: -263.603109 where: bonds (distance) C4'-P energy: -44.035 bonds (distance) P-C4' energy: -56.512 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -35.379 tors. eta vs tors. theta energy: -65.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -896.617393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.617393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.617393 (E_RNA) where: Base-Base interactions energy: -621.317 where: short stacking energy: -247.944 Base-Backbone interact. energy: -1.468 local terms energy: -273.832135 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -51.513 flat angles C4'-P-C4' energy: -55.770 flat angles P-C4'-P energy: -41.161 tors. eta vs tors. theta energy: -64.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -807.744820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.744820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.744820 (E_RNA) where: Base-Base interactions energy: -530.005 where: short stacking energy: -262.072 Base-Backbone interact. energy: -2.290 local terms energy: -275.449792 where: bonds (distance) C4'-P energy: -50.340 bonds (distance) P-C4' energy: -45.538 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -71.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -726.114136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.114136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.114136 (E_RNA) where: Base-Base interactions energy: -471.719 where: short stacking energy: -225.275 Base-Backbone interact. energy: 1.543 local terms energy: -255.938989 where: bonds (distance) C4'-P energy: -50.509 bonds (distance) P-C4' energy: -46.914 flat angles C4'-P-C4' energy: -59.552 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -58.977 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: 8, replica: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -588.005443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.005443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.005443 (E_RNA) where: Base-Base interactions energy: -390.211 where: short stacking energy: -164.244 Base-Backbone interact. energy: -1.650 local terms energy: -196.144557 where: bonds (distance) C4'-P energy: -50.415 bonds (distance) P-C4' energy: -44.250 flat angles C4'-P-C4' energy: -43.376 flat angles P-C4'-P energy: -26.630 tors. eta vs tors. theta energy: -31.474 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: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -518.982199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.982199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.982199 (E_RNA) where: Base-Base interactions energy: -312.818 where: short stacking energy: -157.368 Base-Backbone interact. energy: 1.181 local terms energy: -207.344782 where: bonds (distance) C4'-P energy: -41.408 bonds (distance) P-C4' energy: -54.400 flat angles C4'-P-C4' energy: -45.500 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -29.997 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: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -431.798547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.798547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.798547 (E_RNA) where: Base-Base interactions energy: -264.442 where: short stacking energy: -137.656 Base-Backbone interact. energy: 1.340 local terms energy: -168.696343 where: bonds (distance) C4'-P energy: -41.959 bonds (distance) P-C4' energy: -52.792 flat angles C4'-P-C4' energy: -28.021 flat angles P-C4'-P energy: -33.382 tors. eta vs tors. theta energy: -12.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1043.381941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.381941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.381941 (E_RNA) where: Base-Base interactions energy: -731.826 where: short stacking energy: -284.637 Base-Backbone interact. energy: 0.916 local terms energy: -312.472698 where: bonds (distance) C4'-P energy: -60.361 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -59.661 flat angles P-C4'-P energy: -46.539 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: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1007.806228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.806228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.806228 (E_RNA) where: Base-Base interactions energy: -712.456 where: short stacking energy: -316.346 Base-Backbone interact. energy: 1.029 local terms energy: -296.379216 where: bonds (distance) C4'-P energy: -45.556 bonds (distance) P-C4' energy: -57.020 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -85.959 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: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -966.203230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.203230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.203230 (E_RNA) where: Base-Base interactions energy: -674.855 where: short stacking energy: -283.998 Base-Backbone interact. energy: -0.327 local terms energy: -291.021727 where: bonds (distance) C4'-P energy: -51.617 bonds (distance) P-C4' energy: -53.445 flat angles C4'-P-C4' energy: -65.047 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -74.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -943.879596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.879596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.879596 (E_RNA) where: Base-Base interactions energy: -665.455 where: short stacking energy: -274.154 Base-Backbone interact. energy: -1.227 local terms energy: -277.196875 where: bonds (distance) C4'-P energy: -51.634 bonds (distance) P-C4' energy: -53.301 flat angles C4'-P-C4' energy: -56.007 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -75.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -819.747059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.747059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.747059 (E_RNA) where: Base-Base interactions energy: -555.639 where: short stacking energy: -250.697 Base-Backbone interact. energy: 0.377 local terms energy: -264.485778 where: bonds (distance) C4'-P energy: -52.141 bonds (distance) P-C4' energy: -57.645 flat angles C4'-P-C4' energy: -59.874 flat angles P-C4'-P energy: -26.144 tors. eta vs tors. theta energy: -68.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -874.505221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.505221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.505221 (E_RNA) where: Base-Base interactions energy: -614.472 where: short stacking energy: -242.016 Base-Backbone interact. energy: -1.022 local terms energy: -259.011484 where: bonds (distance) C4'-P energy: -51.906 bonds (distance) P-C4' energy: -50.436 flat angles C4'-P-C4' energy: -57.282 flat angles P-C4'-P energy: -34.319 tors. eta vs tors. theta energy: -65.069 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: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -769.749009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.749009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.749009 (E_RNA) where: Base-Base interactions energy: -518.588 where: short stacking energy: -224.644 Base-Backbone interact. energy: -1.033 local terms energy: -250.127907 where: bonds (distance) C4'-P energy: -45.363 bonds (distance) P-C4' energy: -53.191 flat angles C4'-P-C4' energy: -53.004 flat angles P-C4'-P energy: -39.171 tors. eta vs tors. theta energy: -59.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -597.758406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.758406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.758406 (E_RNA) where: Base-Base interactions energy: -391.478 where: short stacking energy: -174.647 Base-Backbone interact. energy: -1.371 local terms energy: -204.908691 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -51.553 flat angles C4'-P-C4' energy: -51.315 flat angles P-C4'-P energy: -20.544 tors. eta vs tors. theta energy: -32.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -495.949707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.949707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.949707 (E_RNA) where: Base-Base interactions energy: -325.141 where: short stacking energy: -143.164 Base-Backbone interact. energy: 0.293 local terms energy: -171.101216 where: bonds (distance) C4'-P energy: -40.181 bonds (distance) P-C4' energy: -48.077 flat angles C4'-P-C4' energy: -40.199 flat angles P-C4'-P energy: -29.349 tors. eta vs tors. theta energy: -13.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -447.176531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.176531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.176531 (E_RNA) where: Base-Base interactions energy: -245.731 where: short stacking energy: -135.481 Base-Backbone interact. energy: -0.519 local terms energy: -200.926942 where: bonds (distance) C4'-P energy: -49.227 bonds (distance) P-C4' energy: -53.386 flat angles C4'-P-C4' energy: -46.519 flat angles P-C4'-P energy: -34.396 tors. eta vs tors. theta energy: -17.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1047.337671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.337671 (E_RNA) where: Base-Base interactions energy: -759.006 where: short stacking energy: -292.087 Base-Backbone interact. energy: 1.209 local terms energy: -289.540684 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -57.408 flat angles C4'-P-C4' energy: -64.235 flat angles P-C4'-P energy: -32.438 tors. eta vs tors. theta energy: -79.153 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: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1004.184679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.184679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.184679 (E_RNA) where: Base-Base interactions energy: -686.525 where: short stacking energy: -311.755 Base-Backbone interact. energy: -1.277 local terms energy: -316.383368 where: bonds (distance) C4'-P energy: -62.604 bonds (distance) P-C4' energy: -56.069 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -36.454 tors. eta vs tors. theta energy: -96.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -969.924749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.924749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.924749 (E_RNA) where: Base-Base interactions energy: -663.037 where: short stacking energy: -291.821 Base-Backbone interact. energy: -0.713 local terms energy: -306.174685 where: bonds (distance) C4'-P energy: -55.691 bonds (distance) P-C4' energy: -60.093 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -40.887 tors. eta vs tors. theta energy: -83.085 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: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -941.784026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.784026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.784026 (E_RNA) where: Base-Base interactions energy: -674.886 where: short stacking energy: -286.848 Base-Backbone interact. energy: -0.001 local terms energy: -266.896790 where: bonds (distance) C4'-P energy: -47.630 bonds (distance) P-C4' energy: -47.916 flat angles C4'-P-C4' energy: -56.079 flat angles P-C4'-P energy: -36.421 tors. eta vs tors. theta energy: -78.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -829.368202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.368202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.368202 (E_RNA) where: Base-Base interactions energy: -569.328 where: short stacking energy: -243.362 Base-Backbone interact. energy: -1.343 local terms energy: -258.697249 where: bonds (distance) C4'-P energy: -52.160 bonds (distance) P-C4' energy: -49.583 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -58.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -913.471410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.471410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.471410 (E_RNA) where: Base-Base interactions energy: -652.168 where: short stacking energy: -266.996 Base-Backbone interact. energy: 5.169 local terms energy: -266.472361 where: bonds (distance) C4'-P energy: -48.234 bonds (distance) P-C4' energy: -56.038 flat angles C4'-P-C4' energy: -65.338 flat angles P-C4'-P energy: -33.464 tors. eta vs tors. theta energy: -63.398 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: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -768.091091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.091091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.091091 (E_RNA) where: Base-Base interactions energy: -517.219 where: short stacking energy: -239.544 Base-Backbone interact. energy: -0.072 local terms energy: -250.800677 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -47.865 flat angles C4'-P-C4' energy: -51.060 flat angles P-C4'-P energy: -32.109 tors. eta vs tors. theta energy: -68.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -521.007397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.007397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.007397 (E_RNA) where: Base-Base interactions energy: -303.261 where: short stacking energy: -151.911 Base-Backbone interact. energy: -2.250 local terms energy: -215.496347 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -50.296 flat angles C4'-P-C4' energy: -51.272 flat angles P-C4'-P energy: -30.220 tors. eta vs tors. theta energy: -25.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -574.816861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.816861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.816861 (E_RNA) where: Base-Base interactions energy: -378.542 where: short stacking energy: -167.222 Base-Backbone interact. energy: -0.039 local terms energy: -196.236439 where: bonds (distance) C4'-P energy: -51.205 bonds (distance) P-C4' energy: -51.373 flat angles C4'-P-C4' energy: -44.239 flat angles P-C4'-P energy: -32.245 tors. eta vs tors. theta energy: -17.174 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: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -460.340946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.340946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.340946 (E_RNA) where: Base-Base interactions energy: -256.968 where: short stacking energy: -119.943 Base-Backbone interact. energy: -2.787 local terms energy: -200.585870 where: bonds (distance) C4'-P energy: -48.632 bonds (distance) P-C4' energy: -48.695 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -30.257 tors. eta vs tors. theta energy: -12.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1050.490531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.490531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.490531 (E_RNA) where: Base-Base interactions energy: -740.440 where: short stacking energy: -302.788 Base-Backbone interact. energy: -2.424 local terms energy: -307.626724 where: bonds (distance) C4'-P energy: -64.227 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -33.657 tors. eta vs tors. theta energy: -81.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -988.367435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.367435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.367435 (E_RNA) where: Base-Base interactions energy: -693.651 where: short stacking energy: -298.115 Base-Backbone interact. energy: 0.747 local terms energy: -295.463593 where: bonds (distance) C4'-P energy: -51.868 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -60.637 flat angles P-C4'-P energy: -36.268 tors. eta vs tors. theta energy: -86.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -965.570108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.570108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.570108 (E_RNA) where: Base-Base interactions energy: -680.494 where: short stacking energy: -273.539 Base-Backbone interact. energy: -0.773 local terms energy: -284.303363 where: bonds (distance) C4'-P energy: -45.440 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -40.516 tors. eta vs tors. theta energy: -78.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -886.517255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.517255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.517255 (E_RNA) where: Base-Base interactions energy: -625.118 where: short stacking energy: -261.787 Base-Backbone interact. energy: -1.006 local terms energy: -260.393082 where: bonds (distance) C4'-P energy: -56.420 bonds (distance) P-C4' energy: -52.025 flat angles C4'-P-C4' energy: -49.542 flat angles P-C4'-P energy: -33.745 tors. eta vs tors. theta energy: -68.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -909.563924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.563924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.563924 (E_RNA) where: Base-Base interactions energy: -637.779 where: short stacking energy: -256.644 Base-Backbone interact. energy: -0.243 local terms energy: -271.541497 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -47.967 flat angles C4'-P-C4' energy: -61.071 flat angles P-C4'-P energy: -36.679 tors. eta vs tors. theta energy: -66.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -777.984755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.984755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.984755 (E_RNA) where: Base-Base interactions energy: -515.439 where: short stacking energy: -218.891 Base-Backbone interact. energy: -0.882 local terms energy: -261.662811 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -52.412 flat angles P-C4'-P energy: -29.587 tors. eta vs tors. theta energy: -58.948 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: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -743.530182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.530182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.530182 (E_RNA) where: Base-Base interactions energy: -490.799 where: short stacking energy: -231.268 Base-Backbone interact. energy: 2.737 local terms energy: -255.468098 where: bonds (distance) C4'-P energy: -49.844 bonds (distance) P-C4' energy: -54.429 flat angles C4'-P-C4' energy: -54.282 flat angles P-C4'-P energy: -35.141 tors. eta vs tors. theta energy: -61.772 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -539.648160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.648160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.648160 (E_RNA) where: Base-Base interactions energy: -332.596 where: short stacking energy: -157.207 Base-Backbone interact. energy: 0.968 local terms energy: -208.020190 where: bonds (distance) C4'-P energy: -42.823 bonds (distance) P-C4' energy: -45.749 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -29.726 tors. eta vs tors. theta energy: -26.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -557.077919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.077919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.077919 (E_RNA) where: Base-Base interactions energy: -367.080 where: short stacking energy: -161.923 Base-Backbone interact. energy: -0.041 local terms energy: -189.956822 where: bonds (distance) C4'-P energy: -38.855 bonds (distance) P-C4' energy: -54.443 flat angles C4'-P-C4' energy: -47.932 flat angles P-C4'-P energy: -29.785 tors. eta vs tors. theta energy: -18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -471.338899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.338899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.338899 (E_RNA) where: Base-Base interactions energy: -284.004 where: short stacking energy: -145.783 Base-Backbone interact. energy: 2.394 local terms energy: -189.728342 where: bonds (distance) C4'-P energy: -49.101 bonds (distance) P-C4' energy: -52.386 flat angles C4'-P-C4' energy: -49.759 flat angles P-C4'-P energy: -16.191 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1046.515786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.515786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.515786 (E_RNA) where: Base-Base interactions energy: -746.329 where: short stacking energy: -295.394 Base-Backbone interact. energy: 2.231 local terms energy: -302.417347 where: bonds (distance) C4'-P energy: -53.451 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -67.575 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: -75.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -982.026460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.026460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.026460 (E_RNA) where: Base-Base interactions energy: -692.717 where: short stacking energy: -297.197 Base-Backbone interact. energy: 4.837 local terms energy: -294.146741 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -50.211 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -81.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -983.132133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.132133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.132133 (E_RNA) where: Base-Base interactions energy: -676.853 where: short stacking energy: -283.620 Base-Backbone interact. energy: -1.162 local terms energy: -305.117105 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -60.235 flat angles C4'-P-C4' energy: -65.478 flat angles P-C4'-P energy: -35.175 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: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -926.806935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.806935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.806935 (E_RNA) where: Base-Base interactions energy: -642.020 where: short stacking energy: -257.202 Base-Backbone interact. energy: -1.226 local terms energy: -283.561701 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -63.043 flat angles P-C4'-P energy: -42.547 tors. eta vs tors. theta energy: -69.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -852.948555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.948555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.948555 (E_RNA) where: Base-Base interactions energy: -606.762 where: short stacking energy: -245.513 Base-Backbone interact. energy: -0.019 local terms energy: -246.168073 where: bonds (distance) C4'-P energy: -46.102 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -40.443 flat angles P-C4'-P energy: -36.894 tors. eta vs tors. theta energy: -60.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -792.777313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.777313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.777313 (E_RNA) where: Base-Base interactions energy: -538.358 where: short stacking energy: -240.546 Base-Backbone interact. energy: -0.367 local terms energy: -254.052402 where: bonds (distance) C4'-P energy: -44.062 bonds (distance) P-C4' energy: -51.440 flat angles C4'-P-C4' energy: -53.094 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -60.530 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: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -651.050635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.050635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.050635 (E_RNA) where: Base-Base interactions energy: -427.155 where: short stacking energy: -202.190 Base-Backbone interact. energy: 1.512 local terms energy: -225.407985 where: bonds (distance) C4'-P energy: -51.727 bonds (distance) P-C4' energy: -42.733 flat angles C4'-P-C4' energy: -48.194 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -44.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -613.047006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.047006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.047006 (E_RNA) where: Base-Base interactions energy: -401.979 where: short stacking energy: -174.514 Base-Backbone interact. energy: 0.208 local terms energy: -211.276067 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -39.983 flat angles C4'-P-C4' energy: -48.528 flat angles P-C4'-P energy: -30.256 tors. eta vs tors. theta energy: -37.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -531.579826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.579826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.579826 (E_RNA) where: Base-Base interactions energy: -299.083 where: short stacking energy: -154.209 Base-Backbone interact. energy: -1.039 local terms energy: -231.457553 where: bonds (distance) C4'-P energy: -63.811 bonds (distance) P-C4' energy: -55.055 flat angles C4'-P-C4' energy: -52.265 flat angles P-C4'-P energy: -26.887 tors. eta vs tors. theta energy: -33.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -437.510133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.510133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.510133 (E_RNA) where: Base-Base interactions energy: -263.817 where: short stacking energy: -114.246 Base-Backbone interact. energy: 0.060 local terms energy: -173.752519 where: bonds (distance) C4'-P energy: -41.044 bonds (distance) P-C4' energy: -53.011 flat angles C4'-P-C4' energy: -43.652 flat angles P-C4'-P energy: -26.927 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1037.645111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.645111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.645111 (E_RNA) where: Base-Base interactions energy: -728.328 where: short stacking energy: -291.266 Base-Backbone interact. energy: -0.742 local terms energy: -308.575457 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -62.890 flat angles P-C4'-P energy: -47.348 tors. eta vs tors. theta energy: -82.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -989.634378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.634378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.634378 (E_RNA) where: Base-Base interactions energy: -699.650 where: short stacking energy: -296.279 Base-Backbone interact. energy: -3.067 local terms energy: -286.917137 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -45.038 flat angles C4'-P-C4' energy: -64.377 flat angles P-C4'-P energy: -49.552 tors. eta vs tors. theta energy: -78.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -958.614727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.614727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.614727 (E_RNA) where: Base-Base interactions energy: -663.769 where: short stacking energy: -285.938 Base-Backbone interact. energy: -0.545 local terms energy: -294.300309 where: bonds (distance) C4'-P energy: -58.334 bonds (distance) P-C4' energy: -47.364 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -35.408 tors. eta vs tors. theta energy: -80.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -914.823384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.823384 (E_RNA) where: Base-Base interactions energy: -644.607 where: short stacking energy: -250.258 Base-Backbone interact. energy: 0.963 local terms energy: -271.179940 where: bonds (distance) C4'-P energy: -48.504 bonds (distance) P-C4' energy: -50.241 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -71.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -870.165719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.165719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.165719 (E_RNA) where: Base-Base interactions energy: -627.486 where: short stacking energy: -257.479 Base-Backbone interact. energy: -0.843 local terms energy: -241.836047 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -45.457 flat angles C4'-P-C4' energy: -52.458 flat angles P-C4'-P energy: -33.727 tors. eta vs tors. theta energy: -59.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -785.835954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.835954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.835954 (E_RNA) where: Base-Base interactions energy: -511.306 where: short stacking energy: -234.503 Base-Backbone interact. energy: -1.389 local terms energy: -273.140511 where: bonds (distance) C4'-P energy: -52.654 bonds (distance) P-C4' energy: -54.630 flat angles C4'-P-C4' energy: -51.496 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: -69.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -677.845380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.845380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.845380 (E_RNA) where: Base-Base interactions energy: -434.219 where: short stacking energy: -204.003 Base-Backbone interact. energy: -1.194 local terms energy: -242.432187 where: bonds (distance) C4'-P energy: -54.537 bonds (distance) P-C4' energy: -48.728 flat angles C4'-P-C4' energy: -57.644 flat angles P-C4'-P energy: -35.681 tors. eta vs tors. theta energy: -45.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -644.879422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.879422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.879422 (E_RNA) where: Base-Base interactions energy: -457.401 where: short stacking energy: -210.173 Base-Backbone interact. energy: -0.451 local terms energy: -187.026887 where: bonds (distance) C4'-P energy: -44.306 bonds (distance) P-C4' energy: -36.210 flat angles C4'-P-C4' energy: -38.721 flat angles P-C4'-P energy: -20.839 tors. eta vs tors. theta energy: -46.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -482.029603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.029603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.029603 (E_RNA) where: Base-Base interactions energy: -270.702 where: short stacking energy: -123.297 Base-Backbone interact. energy: -1.272 local terms energy: -210.055303 where: bonds (distance) C4'-P energy: -49.978 bonds (distance) P-C4' energy: -57.858 flat angles C4'-P-C4' energy: -51.407 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -15.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -502.218102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.218102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.218102 (E_RNA) where: Base-Base interactions energy: -319.781 where: short stacking energy: -136.548 Base-Backbone interact. energy: -1.646 local terms energy: -180.791046 where: bonds (distance) C4'-P energy: -42.753 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -35.244 flat angles P-C4'-P energy: -34.540 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1051.155981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.155981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.155981 (E_RNA) where: Base-Base interactions energy: -737.356 where: short stacking energy: -301.936 Base-Backbone interact. energy: -0.853 local terms energy: -312.947230 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -67.325 flat angles P-C4'-P energy: -49.438 tors. eta vs tors. theta energy: -83.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1003.552185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.552185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.552185 (E_RNA) where: Base-Base interactions energy: -694.849 where: short stacking energy: -285.762 Base-Backbone interact. energy: -2.433 local terms energy: -306.269833 where: bonds (distance) C4'-P energy: -57.786 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -62.914 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -80.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -964.585638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.585638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.585638 (E_RNA) where: Base-Base interactions energy: -665.502 where: short stacking energy: -293.410 Base-Backbone interact. energy: -1.145 local terms energy: -297.938463 where: bonds (distance) C4'-P energy: -56.133 bonds (distance) P-C4' energy: -49.022 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -82.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -918.976957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.976957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.976957 (E_RNA) where: Base-Base interactions energy: -645.823 where: short stacking energy: -267.228 Base-Backbone interact. energy: -0.712 local terms energy: -272.441819 where: bonds (distance) C4'-P energy: -48.540 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -46.619 flat angles P-C4'-P energy: -40.700 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: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -902.573303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.573303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.573303 (E_RNA) where: Base-Base interactions energy: -621.256 where: short stacking energy: -249.400 Base-Backbone interact. energy: -1.358 local terms energy: -279.959346 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -53.160 flat angles C4'-P-C4' energy: -56.038 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -71.503 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: 319 Temperature: 1.150000 Total energy: -752.925973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.925973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.925973 (E_RNA) where: Base-Base interactions energy: -506.084 where: short stacking energy: -215.032 Base-Backbone interact. energy: 0.402 local terms energy: -247.244445 where: bonds (distance) C4'-P energy: -50.778 bonds (distance) P-C4' energy: -52.549 flat angles C4'-P-C4' energy: -58.944 flat angles P-C4'-P energy: -34.609 tors. eta vs tors. theta energy: -50.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -642.797587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.797587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.797587 (E_RNA) where: Base-Base interactions energy: -433.458 where: short stacking energy: -200.027 Base-Backbone interact. energy: -0.277 local terms energy: -209.062790 where: bonds (distance) C4'-P energy: -38.166 bonds (distance) P-C4' energy: -48.414 flat angles C4'-P-C4' energy: -50.450 flat angles P-C4'-P energy: -31.067 tors. eta vs tors. theta energy: -40.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -674.476413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.476413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.476413 (E_RNA) where: Base-Base interactions energy: -440.124 where: short stacking energy: -204.576 Base-Backbone interact. energy: -0.616 local terms energy: -233.735942 where: bonds (distance) C4'-P energy: -50.611 bonds (distance) P-C4' energy: -56.615 flat angles C4'-P-C4' energy: -44.931 flat angles P-C4'-P energy: -33.824 tors. eta vs tors. theta energy: -47.754 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: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -494.153326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.153326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.153326 (E_RNA) where: Base-Base interactions energy: -294.387 where: short stacking energy: -135.746 Base-Backbone interact. energy: -0.911 local terms energy: -198.854981 where: bonds (distance) C4'-P energy: -48.934 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -55.534 flat angles P-C4'-P energy: -29.419 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: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -560.743636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.743636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.743636 (E_RNA) where: Base-Base interactions energy: -354.757 where: short stacking energy: -160.414 Base-Backbone interact. energy: -2.775 local terms energy: -203.211747 where: bonds (distance) C4'-P energy: -47.899 bonds (distance) P-C4' energy: -56.738 flat angles C4'-P-C4' energy: -37.734 flat angles P-C4'-P energy: -28.887 tors. eta vs tors. theta energy: -31.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1034.803790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.803790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.803790 (E_RNA) where: Base-Base interactions energy: -744.519 where: short stacking energy: -303.374 Base-Backbone interact. energy: -0.555 local terms energy: -289.729610 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -57.949 flat angles C4'-P-C4' energy: -64.256 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1001.785629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.785629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.785629 (E_RNA) where: Base-Base interactions energy: -714.704 where: short stacking energy: -298.512 Base-Backbone interact. energy: -1.413 local terms energy: -285.667969 where: bonds (distance) C4'-P energy: -48.761 bonds (distance) P-C4' energy: -49.473 flat angles C4'-P-C4' energy: -65.710 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: -88.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -988.539606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.539606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.539606 (E_RNA) where: Base-Base interactions energy: -692.298 where: short stacking energy: -306.351 Base-Backbone interact. energy: -0.628 local terms energy: -295.613901 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -49.000 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -32.933 tors. eta vs tors. theta energy: -92.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -927.878852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.878852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.878852 (E_RNA) where: Base-Base interactions energy: -644.414 where: short stacking energy: -269.344 Base-Backbone interact. energy: 0.716 local terms energy: -284.180568 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -49.250 flat angles C4'-P-C4' energy: -61.723 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -74.674 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: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -891.372883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.372883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.372883 (E_RNA) where: Base-Base interactions energy: -632.132 where: short stacking energy: -253.111 Base-Backbone interact. energy: -0.786 local terms energy: -258.454775 where: bonds (distance) C4'-P energy: -54.081 bonds (distance) P-C4' energy: -57.291 flat angles C4'-P-C4' energy: -49.050 flat angles P-C4'-P energy: -36.259 tors. eta vs tors. theta energy: -61.775 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: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -784.477225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.477225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.477225 (E_RNA) where: Base-Base interactions energy: -536.222 where: short stacking energy: -234.833 Base-Backbone interact. energy: -0.391 local terms energy: -247.864364 where: bonds (distance) C4'-P energy: -46.203 bonds (distance) P-C4' energy: -50.690 flat angles C4'-P-C4' energy: -56.149 flat angles P-C4'-P energy: -35.727 tors. eta vs tors. theta energy: -59.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -656.967810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.967810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.967810 (E_RNA) where: Base-Base interactions energy: -435.901 where: short stacking energy: -190.820 Base-Backbone interact. energy: -0.936 local terms energy: -220.130841 where: bonds (distance) C4'-P energy: -48.813 bonds (distance) P-C4' energy: -50.796 flat angles C4'-P-C4' energy: -57.542 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -30.733 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: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -633.448379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.448379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.448379 (E_RNA) where: Base-Base interactions energy: -417.999 where: short stacking energy: -194.564 Base-Backbone interact. energy: -0.840 local terms energy: -214.608626 where: bonds (distance) C4'-P energy: -47.745 bonds (distance) P-C4' energy: -47.413 flat angles C4'-P-C4' energy: -45.121 flat angles P-C4'-P energy: -30.925 tors. eta vs tors. theta energy: -43.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -534.389695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.389695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.389695 (E_RNA) where: Base-Base interactions energy: -356.895 where: short stacking energy: -161.346 Base-Backbone interact. energy: 2.983 local terms energy: -180.477788 where: bonds (distance) C4'-P energy: -31.968 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -45.091 flat angles P-C4'-P energy: -23.575 tors. eta vs tors. theta energy: -23.398 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: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -442.788880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.788880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.788880 (E_RNA) where: Base-Base interactions energy: -246.788 where: short stacking energy: -123.452 Base-Backbone interact. energy: -0.768 local terms energy: -195.232997 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -46.257 flat angles C4'-P-C4' energy: -44.246 flat angles P-C4'-P energy: -35.276 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1043.180752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.180752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.180752 (E_RNA) where: Base-Base interactions energy: -721.218 where: short stacking energy: -279.710 Base-Backbone interact. energy: -0.091 local terms energy: -321.871830 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -67.104 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -79.787 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: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -994.968153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.968153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.968153 (E_RNA) where: Base-Base interactions energy: -685.261 where: short stacking energy: -292.144 Base-Backbone interact. energy: -1.057 local terms energy: -308.650144 where: bonds (distance) C4'-P energy: -59.583 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -65.013 flat angles P-C4'-P energy: -44.167 tors. eta vs tors. theta energy: -81.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -968.180528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.180528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.180528 (E_RNA) where: Base-Base interactions energy: -666.516 where: short stacking energy: -283.984 Base-Backbone interact. energy: -1.940 local terms energy: -299.723860 where: bonds (distance) C4'-P energy: -52.202 bonds (distance) P-C4' energy: -57.397 flat angles C4'-P-C4' energy: -65.883 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -76.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -927.425890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.425890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.425890 (E_RNA) where: Base-Base interactions energy: -646.251 where: short stacking energy: -260.464 Base-Backbone interact. energy: -1.278 local terms energy: -279.897054 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -61.188 flat angles C4'-P-C4' energy: -63.935 flat angles P-C4'-P energy: -30.032 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: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -904.249440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.249440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.249440 (E_RNA) where: Base-Base interactions energy: -617.665 where: short stacking energy: -261.151 Base-Backbone interact. energy: 1.557 local terms energy: -288.141767 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -53.452 flat angles C4'-P-C4' energy: -61.207 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -74.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -802.310736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.310736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.310736 (E_RNA) where: Base-Base interactions energy: -545.448 where: short stacking energy: -236.935 Base-Backbone interact. energy: -2.114 local terms energy: -254.748738 where: bonds (distance) C4'-P energy: -37.490 bonds (distance) P-C4' energy: -52.509 flat angles C4'-P-C4' energy: -55.518 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -65.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -664.917657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.917657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.917657 (E_RNA) where: Base-Base interactions energy: -443.073 where: short stacking energy: -186.554 Base-Backbone interact. energy: 0.121 local terms energy: -221.965829 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -53.608 flat angles P-C4'-P energy: -22.660 tors. eta vs tors. theta energy: -33.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -675.717230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.717230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.717230 (E_RNA) where: Base-Base interactions energy: -451.000 where: short stacking energy: -206.011 Base-Backbone interact. energy: -0.813 local terms energy: -223.904091 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -40.315 flat angles C4'-P-C4' energy: -43.811 flat angles P-C4'-P energy: -37.794 tors. eta vs tors. theta energy: -50.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -608.164726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.164726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.164726 (E_RNA) where: Base-Base interactions energy: -403.662 where: short stacking energy: -179.860 Base-Backbone interact. energy: -0.544 local terms energy: -203.958083 where: bonds (distance) C4'-P energy: -43.375 bonds (distance) P-C4' energy: -49.950 flat angles C4'-P-C4' energy: -47.222 flat angles P-C4'-P energy: -24.364 tors. eta vs tors. theta energy: -39.048 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -482.087226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.087226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.087226 (E_RNA) where: Base-Base interactions energy: -315.607 where: short stacking energy: -158.741 Base-Backbone interact. energy: 1.368 local terms energy: -167.847779 where: bonds (distance) C4'-P energy: -43.086 bonds (distance) P-C4' energy: -36.697 flat angles C4'-P-C4' energy: -30.206 flat angles P-C4'-P energy: -28.908 tors. eta vs tors. theta energy: -28.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1037.724252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.724252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.724252 (E_RNA) where: Base-Base interactions energy: -738.872 where: short stacking energy: -301.485 Base-Backbone interact. energy: -1.535 local terms energy: -297.317616 where: bonds (distance) C4'-P energy: -53.407 bonds (distance) P-C4' energy: -62.787 flat angles C4'-P-C4' energy: -62.452 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -73.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1003.772296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.772296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.772296 (E_RNA) where: Base-Base interactions energy: -705.132 where: short stacking energy: -298.288 Base-Backbone interact. energy: -0.493 local terms energy: -298.148000 where: bonds (distance) C4'-P energy: -52.673 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -66.312 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -80.527 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: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -940.226126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.226126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.226126 (E_RNA) where: Base-Base interactions energy: -677.475 where: short stacking energy: -266.762 Base-Backbone interact. energy: 1.124 local terms energy: -263.875453 where: bonds (distance) C4'-P energy: -49.138 bonds (distance) P-C4' energy: -49.275 flat angles C4'-P-C4' energy: -56.272 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -65.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -941.926777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.926777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.926777 (E_RNA) where: Base-Base interactions energy: -648.424 where: short stacking energy: -275.874 Base-Backbone interact. energy: -1.576 local terms energy: -291.926838 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -57.653 flat angles C4'-P-C4' energy: -59.512 flat angles P-C4'-P energy: -32.388 tors. eta vs tors. theta energy: -75.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -870.915147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.915147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.915147 (E_RNA) where: Base-Base interactions energy: -598.595 where: short stacking energy: -250.320 Base-Backbone interact. energy: -0.313 local terms energy: -272.007170 where: bonds (distance) C4'-P energy: -52.324 bonds (distance) P-C4' energy: -58.337 flat angles C4'-P-C4' energy: -53.264 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -61.600 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: 322 Temperature: 1.150000 Total energy: -803.702567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.702567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.702567 (E_RNA) where: Base-Base interactions energy: -540.231 where: short stacking energy: -230.442 Base-Backbone interact. energy: 5.101 local terms energy: -268.573167 where: bonds (distance) C4'-P energy: -51.513 bonds (distance) P-C4' energy: -52.179 flat angles C4'-P-C4' energy: -58.812 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: -63.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -670.796949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.796949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.796949 (E_RNA) where: Base-Base interactions energy: -458.753 where: short stacking energy: -195.781 Base-Backbone interact. energy: 0.852 local terms energy: -212.895829 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -47.807 flat angles C4'-P-C4' energy: -33.287 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -47.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -618.251233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.251233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.251233 (E_RNA) where: Base-Base interactions energy: -406.505 where: short stacking energy: -192.701 Base-Backbone interact. energy: -1.867 local terms energy: -209.878534 where: bonds (distance) C4'-P energy: -35.392 bonds (distance) P-C4' energy: -49.813 flat angles C4'-P-C4' energy: -57.543 flat angles P-C4'-P energy: -29.177 tors. eta vs tors. theta energy: -37.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -563.236334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.236334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.236334 (E_RNA) where: Base-Base interactions energy: -355.179 where: short stacking energy: -164.638 Base-Backbone interact. energy: 0.611 local terms energy: -208.667591 where: bonds (distance) C4'-P energy: -49.547 bonds (distance) P-C4' energy: -43.477 flat angles C4'-P-C4' energy: -47.851 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -33.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -452.590592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.590592 (E_RNA) where: Base-Base interactions energy: -281.688 where: short stacking energy: -143.809 Base-Backbone interact. energy: 5.269 local terms energy: -176.170719 where: bonds (distance) C4'-P energy: -39.900 bonds (distance) P-C4' energy: -49.832 flat angles C4'-P-C4' energy: -43.601 flat angles P-C4'-P energy: -17.704 tors. eta vs tors. theta energy: -25.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1040.788383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.788383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.788383 (E_RNA) where: Base-Base interactions energy: -739.698 where: short stacking energy: -292.802 Base-Backbone interact. energy: -1.550 local terms energy: -299.540776 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -79.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1026.022662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.022662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.022662 (E_RNA) where: Base-Base interactions energy: -716.450 where: short stacking energy: -302.131 Base-Backbone interact. energy: -3.272 local terms energy: -306.301259 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -54.462 flat angles C4'-P-C4' energy: -66.330 flat angles P-C4'-P energy: -45.546 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: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -930.647269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.647269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.647269 (E_RNA) where: Base-Base interactions energy: -648.836 where: short stacking energy: -260.494 Base-Backbone interact. energy: -3.151 local terms energy: -278.661060 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -59.960 flat angles C4'-P-C4' energy: -56.942 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: -66.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -946.078352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.078352 (E_RNA) where: Base-Base interactions energy: -646.437 where: short stacking energy: -272.767 Base-Backbone interact. energy: -1.962 local terms energy: -297.678916 where: bonds (distance) C4'-P energy: -51.564 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -67.581 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -77.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -889.097172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.097172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.097172 (E_RNA) where: Base-Base interactions energy: -623.498 where: short stacking energy: -253.793 Base-Backbone interact. energy: -0.500 local terms energy: -265.098747 where: bonds (distance) C4'-P energy: -50.173 bonds (distance) P-C4' energy: -53.598 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: -66.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -797.109373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.109373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.109373 (E_RNA) where: Base-Base interactions energy: -530.737 where: short stacking energy: -222.616 Base-Backbone interact. energy: -1.645 local terms energy: -264.728130 where: bonds (distance) C4'-P energy: -53.961 bonds (distance) P-C4' energy: -48.212 flat angles C4'-P-C4' energy: -63.196 flat angles P-C4'-P energy: -39.703 tors. eta vs tors. theta energy: -59.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -693.844892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.844892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.844892 (E_RNA) where: Base-Base interactions energy: -454.380 where: short stacking energy: -210.044 Base-Backbone interact. energy: 0.129 local terms energy: -239.594229 where: bonds (distance) C4'-P energy: -45.140 bonds (distance) P-C4' energy: -54.668 flat angles C4'-P-C4' energy: -42.851 flat angles P-C4'-P energy: -39.302 tors. eta vs tors. theta energy: -57.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -611.084738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.084738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.084738 (E_RNA) where: Base-Base interactions energy: -399.969 where: short stacking energy: -159.050 Base-Backbone interact. energy: -1.472 local terms energy: -209.643943 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -39.903 flat angles P-C4'-P energy: -29.783 tors. eta vs tors. theta energy: -30.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -600.173681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.173681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.173681 (E_RNA) where: Base-Base interactions energy: -388.706 where: short stacking energy: -173.080 Base-Backbone interact. energy: -0.865 local terms energy: -210.602668 where: bonds (distance) C4'-P energy: -38.525 bonds (distance) P-C4' energy: -51.663 flat angles C4'-P-C4' energy: -49.948 flat angles P-C4'-P energy: -36.624 tors. eta vs tors. theta energy: -33.842 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: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -430.269911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.269911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.269911 (E_RNA) where: Base-Base interactions energy: -269.331 where: short stacking energy: -112.375 Base-Backbone interact. energy: 0.769 local terms energy: -161.707514 where: bonds (distance) C4'-P energy: -42.607 bonds (distance) P-C4' energy: -43.230 flat angles C4'-P-C4' energy: -40.332 flat angles P-C4'-P energy: -21.693 tors. eta vs tors. theta energy: -13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1049.874348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.874348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.874348 (E_RNA) where: Base-Base interactions energy: -749.643 where: short stacking energy: -296.891 Base-Backbone interact. energy: -0.814 local terms energy: -299.416538 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -59.602 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -75.899 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: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1011.289578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.289578 (E_RNA) where: Base-Base interactions energy: -712.942 where: short stacking energy: -291.002 Base-Backbone interact. energy: 1.041 local terms energy: -299.389262 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -51.330 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -42.118 tors. eta vs tors. theta energy: -86.852 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: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -988.816238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.816238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.816238 (E_RNA) where: Base-Base interactions energy: -689.271 where: short stacking energy: -288.486 Base-Backbone interact. energy: -0.832 local terms energy: -298.712901 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -65.111 flat angles P-C4'-P energy: -38.542 tors. eta vs tors. theta energy: -79.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -934.634759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.634759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.634759 (E_RNA) where: Base-Base interactions energy: -637.216 where: short stacking energy: -264.888 Base-Backbone interact. energy: -0.688 local terms energy: -296.730091 where: bonds (distance) C4'-P energy: -57.630 bonds (distance) P-C4' energy: -56.893 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -40.493 tors. eta vs tors. theta energy: -78.994 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: 324 Temperature: 1.100000 Total energy: -911.378005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.378005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.378005 (E_RNA) where: Base-Base interactions energy: -636.810 where: short stacking energy: -247.283 Base-Backbone interact. energy: -0.780 local terms energy: -273.788109 where: bonds (distance) C4'-P energy: -47.598 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -50.614 flat angles P-C4'-P energy: -41.455 tors. eta vs tors. theta energy: -70.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -760.169341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.169341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.169341 (E_RNA) where: Base-Base interactions energy: -496.538 where: short stacking energy: -224.784 Base-Backbone interact. energy: -1.302 local terms energy: -262.329846 where: bonds (distance) C4'-P energy: -49.358 bonds (distance) P-C4' energy: -58.413 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -38.209 tors. eta vs tors. theta energy: -62.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -694.324198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.324198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.324198 (E_RNA) where: Base-Base interactions energy: -462.867 where: short stacking energy: -214.199 Base-Backbone interact. energy: 1.411 local terms energy: -232.868137 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -19.615 tors. eta vs tors. theta energy: -49.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -646.326036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.326036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.326036 (E_RNA) where: Base-Base interactions energy: -434.023 where: short stacking energy: -180.257 Base-Backbone interact. energy: -1.613 local terms energy: -210.690950 where: bonds (distance) C4'-P energy: -49.433 bonds (distance) P-C4' energy: -53.826 flat angles C4'-P-C4' energy: -50.323 flat angles P-C4'-P energy: -25.679 tors. eta vs tors. theta energy: -31.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -446.808629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.808629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.808629 (E_RNA) where: Base-Base interactions energy: -239.029 where: short stacking energy: -111.439 Base-Backbone interact. energy: 1.107 local terms energy: -208.886403 where: bonds (distance) C4'-P energy: -50.881 bonds (distance) P-C4' energy: -53.783 flat angles C4'-P-C4' energy: -49.472 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -17.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -573.718567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.718567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.718567 (E_RNA) where: Base-Base interactions energy: -375.091 where: short stacking energy: -168.891 Base-Backbone interact. energy: -0.018 local terms energy: -198.608863 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -54.204 flat angles C4'-P-C4' energy: -38.014 flat angles P-C4'-P energy: -18.563 tors. eta vs tors. theta energy: -36.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1043.785183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.785183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.785183 (E_RNA) where: Base-Base interactions energy: -743.911 where: short stacking energy: -291.398 Base-Backbone interact. energy: 1.534 local terms energy: -301.407940 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -58.123 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -79.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -994.091809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.091809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.091809 (E_RNA) where: Base-Base interactions energy: -703.791 where: short stacking energy: -287.053 Base-Backbone interact. energy: -0.802 local terms energy: -289.498196 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -58.146 flat angles C4'-P-C4' energy: -56.114 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -77.551 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -973.525242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.525242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.525242 (E_RNA) where: Base-Base interactions energy: -692.510 where: short stacking energy: -279.806 Base-Backbone interact. energy: -2.721 local terms energy: -278.295082 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -45.808 flat angles C4'-P-C4' energy: -61.874 flat angles P-C4'-P energy: -39.384 tors. eta vs tors. theta energy: -77.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -935.747134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.747134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.747134 (E_RNA) where: Base-Base interactions energy: -677.433 where: short stacking energy: -281.769 Base-Backbone interact. energy: 0.172 local terms energy: -258.485685 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -46.117 flat angles C4'-P-C4' energy: -52.277 flat angles P-C4'-P energy: -30.819 tors. eta vs tors. theta energy: -78.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -855.317409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.317409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.317409 (E_RNA) where: Base-Base interactions energy: -601.484 where: short stacking energy: -237.897 Base-Backbone interact. energy: 0.141 local terms energy: -253.974565 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -52.488 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -36.742 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: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -748.696869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.696869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.696869 (E_RNA) where: Base-Base interactions energy: -504.814 where: short stacking energy: -233.927 Base-Backbone interact. energy: 1.506 local terms energy: -245.389186 where: bonds (distance) C4'-P energy: -47.000 bonds (distance) P-C4' energy: -58.578 flat angles C4'-P-C4' energy: -54.393 flat angles P-C4'-P energy: -31.843 tors. eta vs tors. theta energy: -53.575 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: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -675.440257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.440257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.440257 (E_RNA) where: Base-Base interactions energy: -441.746 where: short stacking energy: -196.402 Base-Backbone interact. energy: -2.360 local terms energy: -231.334539 where: bonds (distance) C4'-P energy: -47.954 bonds (distance) P-C4' energy: -55.385 flat angles C4'-P-C4' energy: -50.511 flat angles P-C4'-P energy: -32.145 tors. eta vs tors. theta energy: -45.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -642.774801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.774801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.774801 (E_RNA) where: Base-Base interactions energy: -418.443 where: short stacking energy: -184.906 Base-Backbone interact. energy: 0.039 local terms energy: -224.370803 where: bonds (distance) C4'-P energy: -46.697 bonds (distance) P-C4' energy: -46.080 flat angles C4'-P-C4' energy: -55.880 flat angles P-C4'-P energy: -33.877 tors. eta vs tors. theta energy: -41.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -433.203064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.203064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.203064 (E_RNA) where: Base-Base interactions energy: -231.151 where: short stacking energy: -118.485 Base-Backbone interact. energy: -0.984 local terms energy: -201.067470 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -53.438 flat angles C4'-P-C4' energy: -48.976 flat angles P-C4'-P energy: -28.729 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -558.197677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.197677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.197677 (E_RNA) where: Base-Base interactions energy: -383.609 where: short stacking energy: -182.371 Base-Backbone interact. energy: 1.112 local terms energy: -175.701520 where: bonds (distance) C4'-P energy: -37.038 bonds (distance) P-C4' energy: -36.068 flat angles C4'-P-C4' energy: -42.189 flat angles P-C4'-P energy: -26.301 tors. eta vs tors. theta energy: -34.105 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: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1031.174863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.174863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.174863 (E_RNA) where: Base-Base interactions energy: -740.903 where: short stacking energy: -294.310 Base-Backbone interact. energy: 0.136 local terms energy: -290.407106 where: bonds (distance) C4'-P energy: -47.987 bonds (distance) P-C4' energy: -57.993 flat angles C4'-P-C4' energy: -65.622 flat angles P-C4'-P energy: -38.004 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: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1006.331414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.331414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.331414 (E_RNA) where: Base-Base interactions energy: -718.760 where: short stacking energy: -290.170 Base-Backbone interact. energy: -1.010 local terms energy: -286.561504 where: bonds (distance) C4'-P energy: -50.715 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -62.528 flat angles P-C4'-P energy: -30.534 tors. eta vs tors. theta energy: -82.637 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: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -966.102235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.102235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.102235 (E_RNA) where: Base-Base interactions energy: -661.425 where: short stacking energy: -281.078 Base-Backbone interact. energy: -1.219 local terms energy: -303.458829 where: bonds (distance) C4'-P energy: -50.763 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -67.505 flat angles P-C4'-P energy: -36.913 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: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -914.771491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.771491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.771491 (E_RNA) where: Base-Base interactions energy: -643.227 where: short stacking energy: -265.448 Base-Backbone interact. energy: -0.688 local terms energy: -270.856160 where: bonds (distance) C4'-P energy: -52.385 bonds (distance) P-C4' energy: -49.368 flat angles C4'-P-C4' energy: -60.573 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -71.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -876.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.128146 (E_RNA) where: Base-Base interactions energy: -610.656 where: short stacking energy: -256.302 Base-Backbone interact. energy: -1.271 local terms energy: -264.201171 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -51.508 flat angles C4'-P-C4' energy: -56.582 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -64.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -781.497218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.497218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.497218 (E_RNA) where: Base-Base interactions energy: -528.611 where: short stacking energy: -226.399 Base-Backbone interact. energy: -0.681 local terms energy: -252.205758 where: bonds (distance) C4'-P energy: -51.903 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -47.787 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -61.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -670.049917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.049917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.049917 (E_RNA) where: Base-Base interactions energy: -429.122 where: short stacking energy: -205.574 Base-Backbone interact. energy: -1.666 local terms energy: -239.262053 where: bonds (distance) C4'-P energy: -43.719 bonds (distance) P-C4' energy: -52.455 flat angles C4'-P-C4' energy: -62.361 flat angles P-C4'-P energy: -28.313 tors. eta vs tors. theta energy: -52.413 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: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -621.386351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.386351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.386351 (E_RNA) where: Base-Base interactions energy: -413.295 where: short stacking energy: -178.108 Base-Backbone interact. energy: -0.555 local terms energy: -207.535441 where: bonds (distance) C4'-P energy: -41.225 bonds (distance) P-C4' energy: -50.179 flat angles C4'-P-C4' energy: -55.207 flat angles P-C4'-P energy: -30.399 tors. eta vs tors. theta energy: -30.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -572.826168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.826168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.826168 (E_RNA) where: Base-Base interactions energy: -377.294 where: short stacking energy: -161.714 Base-Backbone interact. energy: -0.953 local terms energy: -194.579318 where: bonds (distance) C4'-P energy: -45.525 bonds (distance) P-C4' energy: -50.053 flat angles C4'-P-C4' energy: -47.440 flat angles P-C4'-P energy: -20.632 tors. eta vs tors. theta energy: -30.930 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: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -481.956428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.956428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.956428 (E_RNA) where: Base-Base interactions energy: -281.705 where: short stacking energy: -137.580 Base-Backbone interact. energy: 0.741 local terms energy: -200.992216 where: bonds (distance) C4'-P energy: -41.843 bonds (distance) P-C4' energy: -52.694 flat angles C4'-P-C4' energy: -43.253 flat angles P-C4'-P energy: -26.422 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: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1056.710176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.710176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.710176 (E_RNA) where: Base-Base interactions energy: -734.434 where: short stacking energy: -294.533 Base-Backbone interact. energy: -1.302 local terms energy: -320.974380 where: bonds (distance) C4'-P energy: -65.245 bonds (distance) P-C4' energy: -55.592 flat angles C4'-P-C4' energy: -70.375 flat angles P-C4'-P energy: -44.769 tors. eta vs tors. theta energy: -84.993 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: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -975.842476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.842476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.842476 (E_RNA) where: Base-Base interactions energy: -678.182 where: short stacking energy: -289.735 Base-Backbone interact. energy: 0.195 local terms energy: -297.855357 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -63.393 flat angles C4'-P-C4' energy: -57.210 flat angles P-C4'-P energy: -50.079 tors. eta vs tors. theta energy: -69.558 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: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -998.154354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.154354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.154354 (E_RNA) where: Base-Base interactions energy: -697.570 where: short stacking energy: -286.091 Base-Backbone interact. energy: 0.239 local terms energy: -300.823507 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -54.365 flat angles C4'-P-C4' energy: -65.796 flat angles P-C4'-P energy: -40.442 tors. eta vs tors. theta energy: -82.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -926.762348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.762348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.762348 (E_RNA) where: Base-Base interactions energy: -645.147 where: short stacking energy: -274.286 Base-Backbone interact. energy: 3.265 local terms energy: -284.880719 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -53.480 flat angles C4'-P-C4' energy: -59.760 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: -78.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -878.926916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.926916 (E_RNA) where: Base-Base interactions energy: -617.571 where: short stacking energy: -254.084 Base-Backbone interact. energy: -2.108 local terms energy: -259.248109 where: bonds (distance) C4'-P energy: -50.928 bonds (distance) P-C4' energy: -58.146 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -27.907 tors. eta vs tors. theta energy: -58.314 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: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -764.253400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.253400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.253400 (E_RNA) where: Base-Base interactions energy: -529.673 where: short stacking energy: -219.345 Base-Backbone interact. energy: -0.561 local terms energy: -234.018841 where: bonds (distance) C4'-P energy: -51.796 bonds (distance) P-C4' energy: -48.328 flat angles C4'-P-C4' energy: -52.709 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: -47.138 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: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -671.506216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.506216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.506216 (E_RNA) where: Base-Base interactions energy: -419.326 where: short stacking energy: -195.069 Base-Backbone interact. energy: 0.146 local terms energy: -252.327096 where: bonds (distance) C4'-P energy: -43.415 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -52.201 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: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -621.778312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.778312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.778312 (E_RNA) where: Base-Base interactions energy: -401.030 where: short stacking energy: -181.761 Base-Backbone interact. energy: 0.002 local terms energy: -220.750480 where: bonds (distance) C4'-P energy: -47.758 bonds (distance) P-C4' energy: -44.302 flat angles C4'-P-C4' energy: -51.134 flat angles P-C4'-P energy: -33.029 tors. eta vs tors. theta energy: -44.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -514.609014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.609014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.609014 (E_RNA) where: Base-Base interactions energy: -318.098 where: short stacking energy: -149.963 Base-Backbone interact. energy: 0.251 local terms energy: -196.762164 where: bonds (distance) C4'-P energy: -44.282 bonds (distance) P-C4' energy: -49.939 flat angles C4'-P-C4' energy: -50.367 flat angles P-C4'-P energy: -27.873 tors. eta vs tors. theta energy: -24.302 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: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -412.386082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.386082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.386082 (E_RNA) where: Base-Base interactions energy: -246.507 where: short stacking energy: -114.859 Base-Backbone interact. energy: 0.954 local terms energy: -166.833375 where: bonds (distance) C4'-P energy: -44.055 bonds (distance) P-C4' energy: -52.986 flat angles C4'-P-C4' energy: -33.726 flat angles P-C4'-P energy: -26.610 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1030.515107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.515107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.515107 (E_RNA) where: Base-Base interactions energy: -728.377 where: short stacking energy: -299.090 Base-Backbone interact. energy: -1.494 local terms energy: -300.644536 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -52.424 flat angles C4'-P-C4' energy: -66.185 flat angles P-C4'-P energy: -40.196 tors. eta vs tors. theta energy: -81.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -998.208972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.208972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.208972 (E_RNA) where: Base-Base interactions energy: -684.527 where: short stacking energy: -311.770 Base-Backbone interact. energy: -0.979 local terms energy: -312.702889 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -84.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -993.654628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.654628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.654628 (E_RNA) where: Base-Base interactions energy: -696.523 where: short stacking energy: -282.261 Base-Backbone interact. energy: -2.931 local terms energy: -294.201304 where: bonds (distance) C4'-P energy: -54.190 bonds (distance) P-C4' energy: -61.340 flat angles C4'-P-C4' energy: -65.236 flat angles P-C4'-P energy: -29.476 tors. eta vs tors. theta energy: -83.958 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: 328 Temperature: 1.050000 Total energy: -899.015203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.015203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.015203 (E_RNA) where: Base-Base interactions energy: -625.854 where: short stacking energy: -248.811 Base-Backbone interact. energy: -0.797 local terms energy: -272.364412 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -51.327 flat angles C4'-P-C4' energy: -62.155 flat angles P-C4'-P energy: -38.514 tors. eta vs tors. theta energy: -65.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -826.229781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.229781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.229781 (E_RNA) where: Base-Base interactions energy: -554.613 where: short stacking energy: -252.769 Base-Backbone interact. energy: -1.949 local terms energy: -269.667952 where: bonds (distance) C4'-P energy: -56.464 bonds (distance) P-C4' energy: -46.417 flat angles C4'-P-C4' energy: -60.196 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -67.440 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: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -821.950140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.950140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.950140 (E_RNA) where: Base-Base interactions energy: -567.060 where: short stacking energy: -227.707 Base-Backbone interact. energy: 2.868 local terms energy: -257.757862 where: bonds (distance) C4'-P energy: -44.194 bonds (distance) P-C4' energy: -53.916 flat angles C4'-P-C4' energy: -59.232 flat angles P-C4'-P energy: -40.755 tors. eta vs tors. theta energy: -59.660 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -665.942668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.942668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.942668 (E_RNA) where: Base-Base interactions energy: -461.706 where: short stacking energy: -187.206 Base-Backbone interact. energy: -1.357 local terms energy: -202.880087 where: bonds (distance) C4'-P energy: -36.628 bonds (distance) P-C4' energy: -44.956 flat angles C4'-P-C4' energy: -50.087 flat angles P-C4'-P energy: -23.789 tors. eta vs tors. theta energy: -47.421 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: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -691.399333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.399333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.399333 (E_RNA) where: Base-Base interactions energy: -468.362 where: short stacking energy: -198.792 Base-Backbone interact. energy: 0.043 local terms energy: -223.079642 where: bonds (distance) C4'-P energy: -37.480 bonds (distance) P-C4' energy: -52.382 flat angles C4'-P-C4' energy: -57.103 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: -44.300 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: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -536.278664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.278664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.278664 (E_RNA) where: Base-Base interactions energy: -340.761 where: short stacking energy: -168.413 Base-Backbone interact. energy: -0.480 local terms energy: -195.037906 where: bonds (distance) C4'-P energy: -41.325 bonds (distance) P-C4' energy: -49.838 flat angles C4'-P-C4' energy: -40.013 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -32.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -431.832275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.832275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.832275 (E_RNA) where: Base-Base interactions energy: -254.244 where: short stacking energy: -129.111 Base-Backbone interact. energy: 3.066 local terms energy: -180.654514 where: bonds (distance) C4'-P energy: -43.511 bonds (distance) P-C4' energy: -49.123 flat angles C4'-P-C4' energy: -52.899 flat angles P-C4'-P energy: -24.896 tors. eta vs tors. theta energy: -10.225 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: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1038.099689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.099689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.099689 (E_RNA) where: Base-Base interactions energy: -749.441 where: short stacking energy: -289.272 Base-Backbone interact. energy: -0.308 local terms energy: -288.350179 where: bonds (distance) C4'-P energy: -50.055 bonds (distance) P-C4' energy: -50.014 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -79.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1015.601603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.601603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.601603 (E_RNA) where: Base-Base interactions energy: -705.368 where: short stacking energy: -300.619 Base-Backbone interact. energy: -2.891 local terms energy: -307.343404 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -65.156 flat angles C4'-P-C4' energy: -66.334 flat angles P-C4'-P energy: -34.799 tors. eta vs tors. theta energy: -86.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -972.048935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.048935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.048935 (E_RNA) where: Base-Base interactions energy: -670.998 where: short stacking energy: -287.361 Base-Backbone interact. energy: -0.454 local terms energy: -300.596369 where: bonds (distance) C4'-P energy: -47.489 bonds (distance) P-C4' energy: -56.582 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -83.440 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: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -909.696947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.696947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.696947 (E_RNA) where: Base-Base interactions energy: -648.123 where: short stacking energy: -273.378 Base-Backbone interact. energy: 1.943 local terms energy: -263.517678 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -41.933 flat angles C4'-P-C4' energy: -62.014 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -66.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -795.259929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.259929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.259929 (E_RNA) where: Base-Base interactions energy: -530.713 where: short stacking energy: -224.161 Base-Backbone interact. energy: -0.436 local terms energy: -264.111497 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -45.401 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -32.261 tors. eta vs tors. theta energy: -61.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -822.173084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.173084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.173084 (E_RNA) where: Base-Base interactions energy: -584.849 where: short stacking energy: -234.210 Base-Backbone interact. energy: 2.276 local terms energy: -239.600030 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -53.505 flat angles C4'-P-C4' energy: -54.172 flat angles P-C4'-P energy: -26.610 tors. eta vs tors. theta energy: -56.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -679.589340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.589340 (E_RNA) where: Base-Base interactions energy: -448.990 where: short stacking energy: -190.990 Base-Backbone interact. energy: -0.041 local terms energy: -230.558775 where: bonds (distance) C4'-P energy: -49.663 bonds (distance) P-C4' energy: -62.863 flat angles C4'-P-C4' energy: -51.949 flat angles P-C4'-P energy: -19.343 tors. eta vs tors. theta energy: -46.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -518.958622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.958622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.958622 (E_RNA) where: Base-Base interactions energy: -320.030 where: short stacking energy: -158.504 Base-Backbone interact. energy: 0.481 local terms energy: -199.409189 where: bonds (distance) C4'-P energy: -45.974 bonds (distance) P-C4' energy: -53.275 flat angles C4'-P-C4' energy: -51.156 flat angles P-C4'-P energy: -26.228 tors. eta vs tors. theta energy: -22.777 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -598.219893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.219893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.219893 (E_RNA) where: Base-Base interactions energy: -395.667 where: short stacking energy: -166.468 Base-Backbone interact. energy: -1.471 local terms energy: -201.081969 where: bonds (distance) C4'-P energy: -37.067 bonds (distance) P-C4' energy: -55.391 flat angles C4'-P-C4' energy: -54.634 flat angles P-C4'-P energy: -24.922 tors. eta vs tors. theta energy: -29.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -459.746780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.746780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.746780 (E_RNA) where: Base-Base interactions energy: -265.236 where: short stacking energy: -130.001 Base-Backbone interact. energy: 1.229 local terms energy: -195.739815 where: bonds (distance) C4'-P energy: -53.572 bonds (distance) P-C4' energy: -49.783 flat angles C4'-P-C4' energy: -43.296 flat angles P-C4'-P energy: -32.630 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1052.612100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.612100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.612100 (E_RNA) where: Base-Base interactions energy: -750.452 where: short stacking energy: -286.755 Base-Backbone interact. energy: -0.393 local terms energy: -301.767512 where: bonds (distance) C4'-P energy: -52.670 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -74.345 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: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1023.215104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.215104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.215104 (E_RNA) where: Base-Base interactions energy: -711.292 where: short stacking energy: -296.858 Base-Backbone interact. energy: -2.420 local terms energy: -309.503811 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -65.340 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -88.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -984.635450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.635450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.635450 (E_RNA) where: Base-Base interactions energy: -675.348 where: short stacking energy: -285.204 Base-Backbone interact. energy: -3.658 local terms energy: -305.630104 where: bonds (distance) C4'-P energy: -59.997 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -67.641 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -83.719 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: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -912.450485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.450485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.450485 (E_RNA) where: Base-Base interactions energy: -624.564 where: short stacking energy: -246.465 Base-Backbone interact. energy: -0.678 local terms energy: -287.208425 where: bonds (distance) C4'-P energy: -57.491 bonds (distance) P-C4' energy: -56.732 flat angles C4'-P-C4' energy: -59.814 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -68.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -821.941278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.941278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.941278 (E_RNA) where: Base-Base interactions energy: -556.169 where: short stacking energy: -234.913 Base-Backbone interact. energy: -0.509 local terms energy: -265.264006 where: bonds (distance) C4'-P energy: -50.620 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -58.017 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -54.954 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: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -789.355023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.355023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.355023 (E_RNA) where: Base-Base interactions energy: -553.768 where: short stacking energy: -238.480 Base-Backbone interact. energy: 3.291 local terms energy: -238.878492 where: bonds (distance) C4'-P energy: -51.285 bonds (distance) P-C4' energy: -49.198 flat angles C4'-P-C4' energy: -52.622 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: -50.602 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: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -678.183893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.183893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.183893 (E_RNA) where: Base-Base interactions energy: -445.671 where: short stacking energy: -220.637 Base-Backbone interact. energy: -0.974 local terms energy: -231.538849 where: bonds (distance) C4'-P energy: -46.992 bonds (distance) P-C4' energy: -56.989 flat angles C4'-P-C4' energy: -44.662 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -49.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -509.673056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.673056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.673056 (E_RNA) where: Base-Base interactions energy: -297.689 where: short stacking energy: -149.133 Base-Backbone interact. energy: -1.115 local terms energy: -210.868515 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -50.689 flat angles C4'-P-C4' energy: -53.350 flat angles P-C4'-P energy: -35.873 tors. eta vs tors. theta energy: -18.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -637.713407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.713407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.713407 (E_RNA) where: Base-Base interactions energy: -419.621 where: short stacking energy: -197.019 Base-Backbone interact. energy: -2.369 local terms energy: -215.723501 where: bonds (distance) C4'-P energy: -36.429 bonds (distance) P-C4' energy: -56.536 flat angles C4'-P-C4' energy: -49.699 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -35.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -464.859307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.859307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.859307 (E_RNA) where: Base-Base interactions energy: -264.394 where: short stacking energy: -132.820 Base-Backbone interact. energy: 0.298 local terms energy: -200.762807 where: bonds (distance) C4'-P energy: -41.810 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -39.596 flat angles P-C4'-P energy: -30.954 tors. eta vs tors. theta energy: -24.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1045.458116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.458116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.458116 (E_RNA) where: Base-Base interactions energy: -747.277 where: short stacking energy: -281.348 Base-Backbone interact. energy: -1.795 local terms energy: -296.386165 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -56.778 flat angles C4'-P-C4' energy: -63.575 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -73.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1013.562872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.562872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.562872 (E_RNA) where: Base-Base interactions energy: -695.009 where: short stacking energy: -311.403 Base-Backbone interact. energy: -0.555 local terms energy: -317.999362 where: bonds (distance) C4'-P energy: -51.716 bonds (distance) P-C4' energy: -62.064 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -89.204 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: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -988.647337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.647337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.647337 (E_RNA) where: Base-Base interactions energy: -706.794 where: short stacking energy: -287.701 Base-Backbone interact. energy: -0.539 local terms energy: -281.314735 where: bonds (distance) C4'-P energy: -48.655 bonds (distance) P-C4' energy: -59.164 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -39.185 tors. eta vs tors. theta energy: -74.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -931.846760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.846760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.846760 (E_RNA) where: Base-Base interactions energy: -652.990 where: short stacking energy: -271.584 Base-Backbone interact. energy: -0.764 local terms energy: -278.092530 where: bonds (distance) C4'-P energy: -50.050 bonds (distance) P-C4' energy: -48.465 flat angles C4'-P-C4' energy: -64.061 flat angles P-C4'-P energy: -44.405 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -854.366565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.366565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.366565 (E_RNA) where: Base-Base interactions energy: -592.777 where: short stacking energy: -245.757 Base-Backbone interact. energy: 6.880 local terms energy: -268.469475 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -58.800 flat angles C4'-P-C4' energy: -56.365 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -55.372 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: 331 Temperature: 1.150000 Total energy: -766.562738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.562738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.562738 (E_RNA) where: Base-Base interactions energy: -514.644 where: short stacking energy: -223.338 Base-Backbone interact. energy: -0.855 local terms energy: -251.064315 where: bonds (distance) C4'-P energy: -45.697 bonds (distance) P-C4' energy: -50.661 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -37.393 tors. eta vs tors. theta energy: -53.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -679.087233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.087233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.087233 (E_RNA) where: Base-Base interactions energy: -451.770 where: short stacking energy: -199.027 Base-Backbone interact. energy: -1.149 local terms energy: -226.167390 where: bonds (distance) C4'-P energy: -40.215 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -58.191 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -33.656 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: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -638.258419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.258419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.258419 (E_RNA) where: Base-Base interactions energy: -420.064 where: short stacking energy: -193.871 Base-Backbone interact. energy: -0.940 local terms energy: -217.254892 where: bonds (distance) C4'-P energy: -38.638 bonds (distance) P-C4' energy: -54.129 flat angles C4'-P-C4' energy: -62.368 flat angles P-C4'-P energy: -26.066 tors. eta vs tors. theta energy: -36.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -506.732799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.732799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.732799 (E_RNA) where: Base-Base interactions energy: -307.526 where: short stacking energy: -149.502 Base-Backbone interact. energy: 0.521 local terms energy: -199.728603 where: bonds (distance) C4'-P energy: -47.817 bonds (distance) P-C4' energy: -52.269 flat angles C4'-P-C4' energy: -42.757 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: -22.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -448.392430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.392430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.392430 (E_RNA) where: Base-Base interactions energy: -281.099 where: short stacking energy: -122.925 Base-Backbone interact. energy: -0.220 local terms energy: -167.072804 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -57.356 flat angles C4'-P-C4' energy: -20.633 flat angles P-C4'-P energy: -23.612 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1051.947012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.947012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.947012 (E_RNA) where: Base-Base interactions energy: -748.682 where: short stacking energy: -292.900 Base-Backbone interact. energy: -1.979 local terms energy: -301.285945 where: bonds (distance) C4'-P energy: -52.843 bonds (distance) P-C4' energy: -62.496 flat angles C4'-P-C4' energy: -64.023 flat angles P-C4'-P energy: -39.838 tors. eta vs tors. theta energy: -82.086 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: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -996.978221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.978221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.978221 (E_RNA) where: Base-Base interactions energy: -708.468 where: short stacking energy: -312.833 Base-Backbone interact. energy: -0.138 local terms energy: -288.372330 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -40.527 flat angles C4'-P-C4' energy: -68.183 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -85.255 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: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -949.968656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.968656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.968656 (E_RNA) where: Base-Base interactions energy: -649.428 where: short stacking energy: -273.382 Base-Backbone interact. energy: -0.638 local terms energy: -299.902712 where: bonds (distance) C4'-P energy: -49.427 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -64.937 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -80.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -956.073623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.073623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.073623 (E_RNA) where: Base-Base interactions energy: -658.790 where: short stacking energy: -267.693 Base-Backbone interact. energy: -2.191 local terms energy: -295.092355 where: bonds (distance) C4'-P energy: -52.084 bonds (distance) P-C4' energy: -62.850 flat angles C4'-P-C4' energy: -59.431 flat angles P-C4'-P energy: -44.794 tors. eta vs tors. theta energy: -75.933 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: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -894.067622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.067622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.067622 (E_RNA) where: Base-Base interactions energy: -627.933 where: short stacking energy: -252.202 Base-Backbone interact. energy: -1.188 local terms energy: -264.947288 where: bonds (distance) C4'-P energy: -52.290 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -53.812 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -59.667 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: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -798.551189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.551189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.551189 (E_RNA) where: Base-Base interactions energy: -546.003 where: short stacking energy: -232.379 Base-Backbone interact. energy: -0.730 local terms energy: -251.818260 where: bonds (distance) C4'-P energy: -52.568 bonds (distance) P-C4' energy: -54.787 flat angles C4'-P-C4' energy: -48.564 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: -57.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -686.663987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.663987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.663987 (E_RNA) where: Base-Base interactions energy: -442.732 where: short stacking energy: -208.124 Base-Backbone interact. energy: 0.324 local terms energy: -244.255540 where: bonds (distance) C4'-P energy: -47.800 bonds (distance) P-C4' energy: -54.450 flat angles C4'-P-C4' energy: -61.108 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: -44.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -657.361768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.361768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.361768 (E_RNA) where: Base-Base interactions energy: -444.405 where: short stacking energy: -206.676 Base-Backbone interact. energy: -0.653 local terms energy: -212.304434 where: bonds (distance) C4'-P energy: -40.992 bonds (distance) P-C4' energy: -39.839 flat angles C4'-P-C4' energy: -43.671 flat angles P-C4'-P energy: -35.472 tors. eta vs tors. theta energy: -52.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -461.498619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.498619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.498619 (E_RNA) where: Base-Base interactions energy: -278.031 where: short stacking energy: -137.882 Base-Backbone interact. energy: 4.812 local terms energy: -188.279735 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -52.722 flat angles C4'-P-C4' energy: -39.972 flat angles P-C4'-P energy: -27.158 tors. eta vs tors. theta energy: -13.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -509.727392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.727392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.727392 (E_RNA) where: Base-Base interactions energy: -295.686 where: short stacking energy: -152.688 Base-Backbone interact. energy: -1.149 local terms energy: -212.892461 where: bonds (distance) C4'-P energy: -45.473 bonds (distance) P-C4' energy: -55.880 flat angles C4'-P-C4' energy: -53.199 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: -26.429 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: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1066.593640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.593640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.593640 (E_RNA) where: Base-Base interactions energy: -757.748 where: short stacking energy: -294.682 Base-Backbone interact. energy: -1.807 local terms energy: -307.038855 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -63.669 flat angles P-C4'-P energy: -43.456 tors. eta vs tors. theta energy: -81.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1005.814048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.814048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.814048 (E_RNA) where: Base-Base interactions energy: -683.383 where: short stacking energy: -302.804 Base-Backbone interact. energy: -1.177 local terms energy: -321.254373 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -88.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -952.977428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.977428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.977428 (E_RNA) where: Base-Base interactions energy: -666.686 where: short stacking energy: -274.146 Base-Backbone interact. energy: -1.536 local terms energy: -284.754931 where: bonds (distance) C4'-P energy: -56.692 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -39.185 tors. eta vs tors. theta energy: -79.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -963.153437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.153437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.153437 (E_RNA) where: Base-Base interactions energy: -666.942 where: short stacking energy: -280.301 Base-Backbone interact. energy: -1.735 local terms energy: -294.476724 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -53.811 flat angles C4'-P-C4' energy: -59.745 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: -83.243 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: 333 Temperature: 1.100000 Total energy: -883.437906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.437906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.437906 (E_RNA) where: Base-Base interactions energy: -610.812 where: short stacking energy: -247.364 Base-Backbone interact. energy: 1.415 local terms energy: -274.040909 where: bonds (distance) C4'-P energy: -49.344 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -54.296 flat angles P-C4'-P energy: -39.032 tors. eta vs tors. theta energy: -61.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -816.457086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.457086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.457086 (E_RNA) where: Base-Base interactions energy: -557.953 where: short stacking energy: -226.634 Base-Backbone interact. energy: -0.872 local terms energy: -257.631544 where: bonds (distance) C4'-P energy: -52.373 bonds (distance) P-C4' energy: -48.142 flat angles C4'-P-C4' energy: -65.909 flat angles P-C4'-P energy: -35.473 tors. eta vs tors. theta energy: -55.735 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: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -705.398651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.398651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.398651 (E_RNA) where: Base-Base interactions energy: -463.154 where: short stacking energy: -228.282 Base-Backbone interact. energy: -1.169 local terms energy: -241.075483 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -50.523 flat angles C4'-P-C4' energy: -53.512 flat angles P-C4'-P energy: -36.742 tors. eta vs tors. theta energy: -48.958 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: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -680.892076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.892076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.892076 (E_RNA) where: Base-Base interactions energy: -448.809 where: short stacking energy: -190.541 Base-Backbone interact. energy: -1.189 local terms energy: -230.893651 where: bonds (distance) C4'-P energy: -52.629 bonds (distance) P-C4' energy: -37.654 flat angles C4'-P-C4' energy: -56.482 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -42.795 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: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -506.088943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.088943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.088943 (E_RNA) where: Base-Base interactions energy: -307.908 where: short stacking energy: -145.839 Base-Backbone interact. energy: -2.314 local terms energy: -195.867577 where: bonds (distance) C4'-P energy: -41.664 bonds (distance) P-C4' energy: -54.956 flat angles C4'-P-C4' energy: -45.378 flat angles P-C4'-P energy: -31.735 tors. eta vs tors. theta energy: -22.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -479.499074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.499074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.499074 (E_RNA) where: Base-Base interactions energy: -270.268 where: short stacking energy: -124.591 Base-Backbone interact. energy: -0.217 local terms energy: -209.014518 where: bonds (distance) C4'-P energy: -51.916 bonds (distance) P-C4' energy: -48.895 flat angles C4'-P-C4' energy: -45.219 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -26.504 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: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1060.310881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.310881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.310881 (E_RNA) where: Base-Base interactions energy: -763.880 where: short stacking energy: -295.737 Base-Backbone interact. energy: -0.663 local terms energy: -295.767554 where: bonds (distance) C4'-P energy: -57.845 bonds (distance) P-C4' energy: -56.751 flat angles C4'-P-C4' energy: -65.100 flat angles P-C4'-P energy: -34.860 tors. eta vs tors. theta energy: -81.211 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: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -995.339210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.339210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.339210 (E_RNA) where: Base-Base interactions energy: -709.057 where: short stacking energy: -315.018 Base-Backbone interact. energy: -0.922 local terms energy: -285.360881 where: bonds (distance) C4'-P energy: -47.067 bonds (distance) P-C4' energy: -54.424 flat angles C4'-P-C4' energy: -55.911 flat angles P-C4'-P energy: -37.574 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: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -978.356571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.356571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.356571 (E_RNA) where: Base-Base interactions energy: -670.424 where: short stacking energy: -287.384 Base-Backbone interact. energy: -1.011 local terms energy: -306.921461 where: bonds (distance) C4'-P energy: -53.534 bonds (distance) P-C4' energy: -58.509 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -42.685 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: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -961.059764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.059764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.059764 (E_RNA) where: Base-Base interactions energy: -666.345 where: short stacking energy: -297.659 Base-Backbone interact. energy: 0.995 local terms energy: -295.710238 where: bonds (distance) C4'-P energy: -49.101 bonds (distance) P-C4' energy: -62.600 flat angles C4'-P-C4' energy: -61.707 flat angles P-C4'-P energy: -39.766 tors. eta vs tors. theta energy: -82.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -895.872683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.872683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.872683 (E_RNA) where: Base-Base interactions energy: -626.085 where: short stacking energy: -246.264 Base-Backbone interact. energy: -0.417 local terms energy: -269.369966 where: bonds (distance) C4'-P energy: -45.255 bonds (distance) P-C4' energy: -62.218 flat angles C4'-P-C4' energy: -61.023 flat angles P-C4'-P energy: -41.748 tors. eta vs tors. theta energy: -59.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -853.924682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.924682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.924682 (E_RNA) where: Base-Base interactions energy: -593.501 where: short stacking energy: -240.615 Base-Backbone interact. energy: -1.162 local terms energy: -259.261713 where: bonds (distance) C4'-P energy: -49.398 bonds (distance) P-C4' energy: -51.639 flat angles C4'-P-C4' energy: -62.376 flat angles P-C4'-P energy: -29.610 tors. eta vs tors. theta energy: -66.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -667.608848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.608848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.608848 (E_RNA) where: Base-Base interactions energy: -434.961 where: short stacking energy: -203.919 Base-Backbone interact. energy: 0.471 local terms energy: -233.119650 where: bonds (distance) C4'-P energy: -46.762 bonds (distance) P-C4' energy: -54.423 flat angles C4'-P-C4' energy: -51.588 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -43.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -646.922019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.922019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.922019 (E_RNA) where: Base-Base interactions energy: -408.037 where: short stacking energy: -197.858 Base-Backbone interact. energy: -0.267 local terms energy: -238.618434 where: bonds (distance) C4'-P energy: -46.147 bonds (distance) P-C4' energy: -51.031 flat angles C4'-P-C4' energy: -52.910 flat angles P-C4'-P energy: -35.439 tors. eta vs tors. theta energy: -53.092 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: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -508.270818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.270818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.270818 (E_RNA) where: Base-Base interactions energy: -319.040 where: short stacking energy: -156.993 Base-Backbone interact. energy: 0.769 local terms energy: -189.999507 where: bonds (distance) C4'-P energy: -36.068 bonds (distance) P-C4' energy: -53.287 flat angles C4'-P-C4' energy: -45.764 flat angles P-C4'-P energy: -23.357 tors. eta vs tors. theta energy: -31.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -446.996428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.996428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.996428 (E_RNA) where: Base-Base interactions energy: -261.541 where: short stacking energy: -119.523 Base-Backbone interact. energy: -0.949 local terms energy: -184.506809 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -46.893 flat angles C4'-P-C4' energy: -47.578 flat angles P-C4'-P energy: -19.099 tors. eta vs tors. theta energy: -14.688 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: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1060.171775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.171775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.171775 (E_RNA) where: Base-Base interactions energy: -750.418 where: short stacking energy: -290.217 Base-Backbone interact. energy: -0.662 local terms energy: -309.091118 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -57.061 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -45.202 tors. eta vs tors. theta energy: -83.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -968.440049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.440049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.440049 (E_RNA) where: Base-Base interactions energy: -684.036 where: short stacking energy: -297.272 Base-Backbone interact. energy: -1.936 local terms energy: -282.468087 where: bonds (distance) C4'-P energy: -51.266 bonds (distance) P-C4' energy: -55.759 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -33.476 tors. eta vs tors. theta energy: -77.702 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: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1002.785032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.785032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.785032 (E_RNA) where: Base-Base interactions energy: -699.642 where: short stacking energy: -295.552 Base-Backbone interact. energy: -0.726 local terms energy: -302.417445 where: bonds (distance) C4'-P energy: -47.947 bonds (distance) P-C4' energy: -53.933 flat angles C4'-P-C4' energy: -65.864 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -88.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -957.528548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.528548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.528548 (E_RNA) where: Base-Base interactions energy: -650.289 where: short stacking energy: -273.065 Base-Backbone interact. energy: -0.252 local terms energy: -306.987471 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: -78.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -894.884223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.884223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.884223 (E_RNA) where: Base-Base interactions energy: -627.404 where: short stacking energy: -246.245 Base-Backbone interact. energy: -2.060 local terms energy: -265.420204 where: bonds (distance) C4'-P energy: -44.489 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -61.541 flat angles P-C4'-P energy: -33.395 tors. eta vs tors. theta energy: -67.327 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: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -864.665697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.665697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.665697 (E_RNA) where: Base-Base interactions energy: -607.383 where: short stacking energy: -259.428 Base-Backbone interact. energy: -0.690 local terms energy: -256.593053 where: bonds (distance) C4'-P energy: -42.170 bonds (distance) P-C4' energy: -54.967 flat angles C4'-P-C4' energy: -54.989 flat angles P-C4'-P energy: -39.143 tors. eta vs tors. theta energy: -65.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -704.512385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.512385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.512385 (E_RNA) where: Base-Base interactions energy: -454.297 where: short stacking energy: -206.918 Base-Backbone interact. energy: 4.332 local terms energy: -254.546684 where: bonds (distance) C4'-P energy: -51.212 bonds (distance) P-C4' energy: -49.455 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -52.328 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: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -640.614649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.614649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.614649 (E_RNA) where: Base-Base interactions energy: -429.962 where: short stacking energy: -180.130 Base-Backbone interact. energy: -1.620 local terms energy: -209.032695 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -45.210 flat angles C4'-P-C4' energy: -37.471 flat angles P-C4'-P energy: -32.633 tors. eta vs tors. theta energy: -38.683 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -440.086485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.086485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.086485 (E_RNA) where: Base-Base interactions energy: -235.036 where: short stacking energy: -105.582 Base-Backbone interact. energy: -1.204 local terms energy: -203.846414 where: bonds (distance) C4'-P energy: -57.375 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -52.377 flat angles P-C4'-P energy: -26.797 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -488.554853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.554853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.554853 (E_RNA) where: Base-Base interactions energy: -294.780 where: short stacking energy: -151.489 Base-Backbone interact. energy: -0.015 local terms energy: -193.759753 where: bonds (distance) C4'-P energy: -51.924 bonds (distance) P-C4' energy: -51.833 flat angles C4'-P-C4' energy: -41.873 flat angles P-C4'-P energy: -18.912 tors. eta vs tors. theta energy: -29.218 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: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1064.238659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.238659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.238659 (E_RNA) where: Base-Base interactions energy: -754.340 where: short stacking energy: -293.356 Base-Backbone interact. energy: -0.851 local terms energy: -309.048042 where: bonds (distance) C4'-P energy: -56.049 bonds (distance) P-C4' energy: -59.987 flat angles C4'-P-C4' energy: -63.888 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -83.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -973.833146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.833146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.833146 (E_RNA) where: Base-Base interactions energy: -672.382 where: short stacking energy: -287.276 Base-Backbone interact. energy: 0.391 local terms energy: -301.841544 where: bonds (distance) C4'-P energy: -55.068 bonds (distance) P-C4' energy: -62.373 flat angles C4'-P-C4' energy: -61.239 flat angles P-C4'-P energy: -40.354 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: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -980.612606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.612606 (E_RNA) where: Base-Base interactions energy: -677.908 where: short stacking energy: -296.140 Base-Backbone interact. energy: -0.299 local terms energy: -302.405701 where: bonds (distance) C4'-P energy: -46.921 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -71.536 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -927.212351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.212351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.212351 (E_RNA) where: Base-Base interactions energy: -638.420 where: short stacking energy: -275.321 Base-Backbone interact. energy: 0.815 local terms energy: -289.607285 where: bonds (distance) C4'-P energy: -51.359 bonds (distance) P-C4' energy: -59.013 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: -82.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -883.351965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.351965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.351965 (E_RNA) where: Base-Base interactions energy: -617.687 where: short stacking energy: -270.688 Base-Backbone interact. energy: 1.860 local terms energy: -267.525076 where: bonds (distance) C4'-P energy: -51.497 bonds (distance) P-C4' energy: -55.037 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -32.351 tors. eta vs tors. theta energy: -63.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -887.018668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.018668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.018668 (E_RNA) where: Base-Base interactions energy: -631.771 where: short stacking energy: -255.681 Base-Backbone interact. energy: -0.938 local terms energy: -254.309877 where: bonds (distance) C4'-P energy: -44.688 bonds (distance) P-C4' energy: -49.274 flat angles C4'-P-C4' energy: -51.442 flat angles P-C4'-P energy: -43.471 tors. eta vs tors. theta energy: -65.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -715.020738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.020738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.020738 (E_RNA) where: Base-Base interactions energy: -464.235 where: short stacking energy: -212.865 Base-Backbone interact. energy: -0.131 local terms energy: -250.654356 where: bonds (distance) C4'-P energy: -44.596 bonds (distance) P-C4' energy: -60.306 flat angles C4'-P-C4' energy: -57.330 flat angles P-C4'-P energy: -32.081 tors. eta vs tors. theta energy: -56.341 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -597.749115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.749115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.749115 (E_RNA) where: Base-Base interactions energy: -367.913 where: short stacking energy: -179.102 Base-Backbone interact. energy: -1.673 local terms energy: -228.162933 where: bonds (distance) C4'-P energy: -45.844 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -48.600 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -42.676 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: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -485.194436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.194436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.194436 (E_RNA) where: Base-Base interactions energy: -295.920 where: short stacking energy: -163.969 Base-Backbone interact. energy: -2.063 local terms energy: -187.211483 where: bonds (distance) C4'-P energy: -40.136 bonds (distance) P-C4' energy: -41.551 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -26.627 tors. eta vs tors. theta energy: -24.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -416.145082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.145082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.145082 (E_RNA) where: Base-Base interactions energy: -231.297 where: short stacking energy: -119.976 Base-Backbone interact. energy: 3.720 local terms energy: -188.568245 where: bonds (distance) C4'-P energy: -42.991 bonds (distance) P-C4' energy: -59.342 flat angles C4'-P-C4' energy: -40.636 flat angles P-C4'-P energy: -30.302 tors. eta vs tors. theta energy: -15.297 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: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1079.761620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.761620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.761620 (E_RNA) where: Base-Base interactions energy: -772.708 where: short stacking energy: -306.999 Base-Backbone interact. energy: -1.532 local terms energy: -305.521717 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -55.428 flat angles C4'-P-C4' energy: -66.114 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -83.608 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: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -987.364721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.364721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.364721 (E_RNA) where: Base-Base interactions energy: -686.777 where: short stacking energy: -275.773 Base-Backbone interact. energy: -0.462 local terms energy: -300.126330 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -62.905 flat angles P-C4'-P energy: -38.984 tors. eta vs tors. theta energy: -78.047 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: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -948.316176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.316176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.316176 (E_RNA) where: Base-Base interactions energy: -670.794 where: short stacking energy: -271.904 Base-Backbone interact. energy: -0.409 local terms energy: -277.112645 where: bonds (distance) C4'-P energy: -50.646 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -60.092 flat angles P-C4'-P energy: -33.312 tors. eta vs tors. theta energy: -74.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -947.806155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.806155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.806155 (E_RNA) where: Base-Base interactions energy: -670.160 where: short stacking energy: -289.678 Base-Backbone interact. energy: 5.040 local terms energy: -282.686343 where: bonds (distance) C4'-P energy: -48.633 bonds (distance) P-C4' energy: -53.550 flat angles C4'-P-C4' energy: -64.538 flat angles P-C4'-P energy: -35.271 tors. eta vs tors. theta energy: -80.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -901.601707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.601707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.601707 (E_RNA) where: Base-Base interactions energy: -632.147 where: short stacking energy: -267.904 Base-Backbone interact. energy: -1.833 local terms energy: -267.622116 where: bonds (distance) C4'-P energy: -51.278 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -50.935 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -65.104 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: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -873.240083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.240083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.240083 (E_RNA) where: Base-Base interactions energy: -606.085 where: short stacking energy: -246.050 Base-Backbone interact. energy: -1.300 local terms energy: -265.855360 where: bonds (distance) C4'-P energy: -44.374 bonds (distance) P-C4' energy: -53.476 flat angles C4'-P-C4' energy: -61.631 flat angles P-C4'-P energy: -39.322 tors. eta vs tors. theta energy: -67.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -708.232045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.232045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.232045 (E_RNA) where: Base-Base interactions energy: -474.930 where: short stacking energy: -226.687 Base-Backbone interact. energy: -0.574 local terms energy: -232.728077 where: bonds (distance) C4'-P energy: -54.056 bonds (distance) P-C4' energy: -42.300 flat angles C4'-P-C4' energy: -50.776 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: -53.102 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: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -549.449729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.449729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.449729 (E_RNA) where: Base-Base interactions energy: -364.702 where: short stacking energy: -145.470 Base-Backbone interact. energy: 2.051 local terms energy: -186.798222 where: bonds (distance) C4'-P energy: -50.812 bonds (distance) P-C4' energy: -48.732 flat angles C4'-P-C4' energy: -38.450 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -14.173 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: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -501.047992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.047992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.047992 (E_RNA) where: Base-Base interactions energy: -307.247 where: short stacking energy: -143.528 Base-Backbone interact. energy: -0.821 local terms energy: -192.980011 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -51.190 flat angles C4'-P-C4' energy: -49.291 flat angles P-C4'-P energy: -18.518 tors. eta vs tors. theta energy: -28.724 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: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -420.355460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.355460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.355460 (E_RNA) where: Base-Base interactions energy: -255.768 where: short stacking energy: -129.568 Base-Backbone interact. energy: 3.402 local terms energy: -167.989329 where: bonds (distance) C4'-P energy: -46.838 bonds (distance) P-C4' energy: -51.472 flat angles C4'-P-C4' energy: -39.246 flat angles P-C4'-P energy: -19.813 tors. eta vs tors. theta energy: -10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1064.716682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.716682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.716682 (E_RNA) where: Base-Base interactions energy: -762.057 where: short stacking energy: -297.047 Base-Backbone interact. energy: -1.332 local terms energy: -301.327777 where: bonds (distance) C4'-P energy: -53.173 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -79.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1000.600783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.600783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.600783 (E_RNA) where: Base-Base interactions energy: -706.666 where: short stacking energy: -285.396 Base-Backbone interact. energy: -1.566 local terms energy: -292.369142 where: bonds (distance) C4'-P energy: -47.038 bonds (distance) P-C4' energy: -55.933 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -49.160 tors. eta vs tors. theta energy: -80.202 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: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -958.306853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.306853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.306853 (E_RNA) where: Base-Base interactions energy: -667.029 where: short stacking energy: -289.818 Base-Backbone interact. energy: -1.360 local terms energy: -289.918202 where: bonds (distance) C4'-P energy: -48.755 bonds (distance) P-C4' energy: -52.445 flat angles C4'-P-C4' energy: -59.767 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -84.016 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: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -937.601309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.601309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.601309 (E_RNA) where: Base-Base interactions energy: -654.497 where: short stacking energy: -273.718 Base-Backbone interact. energy: -0.385 local terms energy: -282.718818 where: bonds (distance) C4'-P energy: -54.897 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -56.546 flat angles P-C4'-P energy: -37.724 tors. eta vs tors. theta energy: -78.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -880.207702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.207702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.207702 (E_RNA) where: Base-Base interactions energy: -616.576 where: short stacking energy: -240.016 Base-Backbone interact. energy: -1.889 local terms energy: -261.742384 where: bonds (distance) C4'-P energy: -43.610 bonds (distance) P-C4' energy: -60.479 flat angles C4'-P-C4' energy: -55.991 flat angles P-C4'-P energy: -37.645 tors. eta vs tors. theta energy: -64.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -969.800397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.800397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.800397 (E_RNA) where: Base-Base interactions energy: -680.161 where: short stacking energy: -276.921 Base-Backbone interact. energy: -1.369 local terms energy: -288.271061 where: bonds (distance) C4'-P energy: -51.607 bonds (distance) P-C4' energy: -52.506 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -42.866 tors. eta vs tors. theta energy: -77.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -714.622139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.622139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.622139 (E_RNA) where: Base-Base interactions energy: -488.413 where: short stacking energy: -222.166 Base-Backbone interact. energy: -1.096 local terms energy: -225.113261 where: bonds (distance) C4'-P energy: -39.085 bonds (distance) P-C4' energy: -48.545 flat angles C4'-P-C4' energy: -55.015 flat angles P-C4'-P energy: -30.313 tors. eta vs tors. theta energy: -52.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -536.969399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.969399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.969399 (E_RNA) where: Base-Base interactions energy: -331.328 where: short stacking energy: -160.903 Base-Backbone interact. energy: -0.296 local terms energy: -205.345616 where: bonds (distance) C4'-P energy: -41.950 bonds (distance) P-C4' energy: -49.422 flat angles C4'-P-C4' energy: -42.794 flat angles P-C4'-P energy: -41.032 tors. eta vs tors. theta energy: -30.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -515.146989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.146989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.146989 (E_RNA) where: Base-Base interactions energy: -336.319 where: short stacking energy: -154.844 Base-Backbone interact. energy: -0.316 local terms energy: -178.511325 where: bonds (distance) C4'-P energy: -48.219 bonds (distance) P-C4' energy: -46.695 flat angles C4'-P-C4' energy: -35.461 flat angles P-C4'-P energy: -30.077 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: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -451.482784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.482784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.482784 (E_RNA) where: Base-Base interactions energy: -275.922 where: short stacking energy: -137.522 Base-Backbone interact. energy: 3.074 local terms energy: -178.634680 where: bonds (distance) C4'-P energy: -41.249 bonds (distance) P-C4' energy: -50.038 flat angles C4'-P-C4' energy: -34.746 flat angles P-C4'-P energy: -29.919 tors. eta vs tors. theta energy: -22.683 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: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1056.914684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.914684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.914684 (E_RNA) where: Base-Base interactions energy: -744.067 where: short stacking energy: -303.699 Base-Backbone interact. energy: -1.820 local terms energy: -311.027716 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -82.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -985.953249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.953249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.953249 (E_RNA) where: Base-Base interactions energy: -679.634 where: short stacking energy: -294.655 Base-Backbone interact. energy: -1.637 local terms energy: -304.681828 where: bonds (distance) C4'-P energy: -58.953 bonds (distance) P-C4' energy: -46.073 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -86.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -947.995703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.995703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.995703 (E_RNA) where: Base-Base interactions energy: -663.886 where: short stacking energy: -276.387 Base-Backbone interact. energy: -1.880 local terms energy: -282.230103 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -51.059 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -35.869 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: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -934.387648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.387648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.387648 (E_RNA) where: Base-Base interactions energy: -654.059 where: short stacking energy: -267.760 Base-Backbone interact. energy: 0.521 local terms energy: -280.849997 where: bonds (distance) C4'-P energy: -49.654 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -65.276 flat angles P-C4'-P energy: -36.784 tors. eta vs tors. theta energy: -72.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -910.352530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.352530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.352530 (E_RNA) where: Base-Base interactions energy: -653.240 where: short stacking energy: -251.936 Base-Backbone interact. energy: -1.965 local terms energy: -255.148017 where: bonds (distance) C4'-P energy: -41.002 bonds (distance) P-C4' energy: -54.569 flat angles C4'-P-C4' energy: -54.517 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: -65.827 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: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -956.838204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.838204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.838204 (E_RNA) where: Base-Base interactions energy: -677.826 where: short stacking energy: -270.921 Base-Backbone interact. energy: -1.796 local terms energy: -277.216608 where: bonds (distance) C4'-P energy: -37.189 bonds (distance) P-C4' energy: -60.352 flat angles C4'-P-C4' energy: -56.604 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: -81.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -702.213315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.213315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.213315 (E_RNA) where: Base-Base interactions energy: -478.573 where: short stacking energy: -228.660 Base-Backbone interact. energy: -3.267 local terms energy: -220.373384 where: bonds (distance) C4'-P energy: -44.623 bonds (distance) P-C4' energy: -40.153 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -21.915 tors. eta vs tors. theta energy: -54.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -604.730037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.730037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.730037 (E_RNA) where: Base-Base interactions energy: -392.057 where: short stacking energy: -170.053 Base-Backbone interact. energy: -0.567 local terms energy: -212.105568 where: bonds (distance) C4'-P energy: -49.195 bonds (distance) P-C4' energy: -54.642 flat angles C4'-P-C4' energy: -42.889 flat angles P-C4'-P energy: -27.577 tors. eta vs tors. theta energy: -37.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -498.990786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.990786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.990786 (E_RNA) where: Base-Base interactions energy: -298.832 where: short stacking energy: -144.984 Base-Backbone interact. energy: -0.972 local terms energy: -199.187152 where: bonds (distance) C4'-P energy: -48.241 bonds (distance) P-C4' energy: -42.867 flat angles C4'-P-C4' energy: -45.317 flat angles P-C4'-P energy: -33.384 tors. eta vs tors. theta energy: -29.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -448.469848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.469848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.469848 (E_RNA) where: Base-Base interactions energy: -291.789 where: short stacking energy: -150.632 Base-Backbone interact. energy: -0.798 local terms energy: -155.883174 where: bonds (distance) C4'-P energy: -38.532 bonds (distance) P-C4' energy: -43.934 flat angles C4'-P-C4' energy: -40.443 flat angles P-C4'-P energy: -13.690 tors. eta vs tors. theta energy: -19.284 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: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1047.378136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.378136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.378136 (E_RNA) where: Base-Base interactions energy: -742.010 where: short stacking energy: -293.363 Base-Backbone interact. energy: -1.262 local terms energy: -304.106259 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -56.216 flat angles C4'-P-C4' energy: -63.446 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -83.892 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: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1008.386113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.386113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.386113 (E_RNA) where: Base-Base interactions energy: -719.810 where: short stacking energy: -311.303 Base-Backbone interact. energy: 0.655 local terms energy: -289.231080 where: bonds (distance) C4'-P energy: -48.842 bonds (distance) P-C4' energy: -51.623 flat angles C4'-P-C4' energy: -70.447 flat angles P-C4'-P energy: -35.337 tors. eta vs tors. theta energy: -82.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -957.676488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.676488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.676488 (E_RNA) where: Base-Base interactions energy: -667.323 where: short stacking energy: -281.935 Base-Backbone interact. energy: 0.678 local terms energy: -291.031708 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -54.431 flat angles C4'-P-C4' energy: -61.721 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -77.412 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: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -921.769916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.769916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.769916 (E_RNA) where: Base-Base interactions energy: -645.103 where: short stacking energy: -287.408 Base-Backbone interact. energy: -1.022 local terms energy: -275.645046 where: bonds (distance) C4'-P energy: -55.438 bonds (distance) P-C4' energy: -49.211 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -75.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -975.769650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.769650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.769650 (E_RNA) where: Base-Base interactions energy: -692.172 where: short stacking energy: -289.009 Base-Backbone interact. energy: -0.871 local terms energy: -282.726952 where: bonds (distance) C4'-P energy: -52.648 bonds (distance) P-C4' energy: -53.325 flat angles C4'-P-C4' energy: -63.369 flat angles P-C4'-P energy: -31.118 tors. eta vs tors. theta energy: -82.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -888.070574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.070574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.070574 (E_RNA) where: Base-Base interactions energy: -616.321 where: short stacking energy: -244.747 Base-Backbone interact. energy: -0.084 local terms energy: -271.665406 where: bonds (distance) C4'-P energy: -49.748 bonds (distance) P-C4' energy: -61.298 flat angles C4'-P-C4' energy: -52.290 flat angles P-C4'-P energy: -41.052 tors. eta vs tors. theta energy: -67.277 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: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -679.323503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.323503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.323503 (E_RNA) where: Base-Base interactions energy: -448.126 where: short stacking energy: -200.755 Base-Backbone interact. energy: -0.181 local terms energy: -231.016999 where: bonds (distance) C4'-P energy: -50.698 bonds (distance) P-C4' energy: -53.896 flat angles C4'-P-C4' energy: -50.272 flat angles P-C4'-P energy: -34.341 tors. eta vs tors. theta energy: -41.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -610.740786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.740786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.740786 (E_RNA) where: Base-Base interactions energy: -407.594 where: short stacking energy: -169.560 Base-Backbone interact. energy: -0.671 local terms energy: -202.475054 where: bonds (distance) C4'-P energy: -35.827 bonds (distance) P-C4' energy: -53.871 flat angles C4'-P-C4' energy: -44.874 flat angles P-C4'-P energy: -33.625 tors. eta vs tors. theta energy: -34.279 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: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -515.417630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.417630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.417630 (E_RNA) where: Base-Base interactions energy: -317.142 where: short stacking energy: -159.143 Base-Backbone interact. energy: -0.048 local terms energy: -198.227486 where: bonds (distance) C4'-P energy: -42.639 bonds (distance) P-C4' energy: -60.457 flat angles C4'-P-C4' energy: -48.547 flat angles P-C4'-P energy: -29.545 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -448.369034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.369034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.369034 (E_RNA) where: Base-Base interactions energy: -270.842 where: short stacking energy: -105.813 Base-Backbone interact. energy: -0.900 local terms energy: -176.627000 where: bonds (distance) C4'-P energy: -48.960 bonds (distance) P-C4' energy: -50.243 flat angles C4'-P-C4' energy: -49.079 flat angles P-C4'-P energy: -24.280 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1070.859768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.859768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.859768 (E_RNA) where: Base-Base interactions energy: -762.449 where: short stacking energy: -311.897 Base-Backbone interact. energy: -1.579 local terms energy: -306.831605 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -48.641 flat angles C4'-P-C4' energy: -66.362 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -89.451 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: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -985.093313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.093313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.093313 (E_RNA) where: Base-Base interactions energy: -685.295 where: short stacking energy: -291.920 Base-Backbone interact. energy: -0.732 local terms energy: -299.066108 where: bonds (distance) C4'-P energy: -53.755 bonds (distance) P-C4' energy: -62.033 flat angles C4'-P-C4' energy: -63.209 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: -75.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -979.623050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.623050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.623050 (E_RNA) where: Base-Base interactions energy: -674.132 where: short stacking energy: -295.275 Base-Backbone interact. energy: -0.316 local terms energy: -305.174804 where: bonds (distance) C4'-P energy: -55.215 bonds (distance) P-C4' energy: -53.580 flat angles C4'-P-C4' energy: -64.340 flat angles P-C4'-P energy: -45.630 tors. eta vs tors. theta energy: -86.411 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -977.982943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.982943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.982943 (E_RNA) where: Base-Base interactions energy: -688.973 where: short stacking energy: -293.357 Base-Backbone interact. energy: -0.061 local terms energy: -288.949546 where: bonds (distance) C4'-P energy: -50.479 bonds (distance) P-C4' energy: -48.087 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -86.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -891.861484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.861484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.861484 (E_RNA) where: Base-Base interactions energy: -629.494 where: short stacking energy: -270.541 Base-Backbone interact. energy: 0.820 local terms energy: -263.186795 where: bonds (distance) C4'-P energy: -50.942 bonds (distance) P-C4' energy: -40.165 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -37.761 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: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -869.883217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.883217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.883217 (E_RNA) where: Base-Base interactions energy: -610.777 where: short stacking energy: -242.800 Base-Backbone interact. energy: 1.055 local terms energy: -260.160517 where: bonds (distance) C4'-P energy: -51.747 bonds (distance) P-C4' energy: -47.252 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -37.003 tors. eta vs tors. theta energy: -58.462 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: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -693.600189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.600189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.600189 (E_RNA) where: Base-Base interactions energy: -449.384 where: short stacking energy: -204.000 Base-Backbone interact. energy: -0.315 local terms energy: -243.900907 where: bonds (distance) C4'-P energy: -46.377 bonds (distance) P-C4' energy: -50.218 flat angles C4'-P-C4' energy: -55.800 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -53.755 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: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -667.056058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.056058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.056058 (E_RNA) where: Base-Base interactions energy: -431.269 where: short stacking energy: -186.539 Base-Backbone interact. energy: -1.220 local terms energy: -234.566743 where: bonds (distance) C4'-P energy: -45.374 bonds (distance) P-C4' energy: -61.450 flat angles C4'-P-C4' energy: -60.955 flat angles P-C4'-P energy: -27.263 tors. eta vs tors. theta energy: -39.524 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: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -451.751550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.751550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.751550 (E_RNA) where: Base-Base interactions energy: -263.133 where: short stacking energy: -130.872 Base-Backbone interact. energy: 1.497 local terms energy: -190.116346 where: bonds (distance) C4'-P energy: -45.907 bonds (distance) P-C4' energy: -52.418 flat angles C4'-P-C4' energy: -41.424 flat angles P-C4'-P energy: -33.957 tors. eta vs tors. theta energy: -16.411 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: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -460.225433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.225433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.225433 (E_RNA) where: Base-Base interactions energy: -286.596 where: short stacking energy: -150.110 Base-Backbone interact. energy: -1.103 local terms energy: -172.526346 where: bonds (distance) C4'-P energy: -40.536 bonds (distance) P-C4' energy: -40.689 flat angles C4'-P-C4' energy: -42.778 flat angles P-C4'-P energy: -23.420 tors. eta vs tors. theta energy: -25.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1048.052137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.052137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.052137 (E_RNA) where: Base-Base interactions energy: -756.385 where: short stacking energy: -291.565 Base-Backbone interact. energy: 5.165 local terms energy: -296.831694 where: bonds (distance) C4'-P energy: -53.785 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -59.366 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -76.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -998.570247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.570247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.570247 (E_RNA) where: Base-Base interactions energy: -688.531 where: short stacking energy: -279.463 Base-Backbone interact. energy: 1.168 local terms energy: -311.206631 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -57.972 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -84.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1016.568242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.568242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.568242 (E_RNA) where: Base-Base interactions energy: -732.732 where: short stacking energy: -306.589 Base-Backbone interact. energy: -1.224 local terms energy: -282.612823 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -54.850 flat angles C4'-P-C4' energy: -60.626 flat angles P-C4'-P energy: -27.731 tors. eta vs tors. theta energy: -86.138 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -946.246407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.246407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.246407 (E_RNA) where: Base-Base interactions energy: -669.605 where: short stacking energy: -284.568 Base-Backbone interact. energy: -0.932 local terms energy: -275.709868 where: bonds (distance) C4'-P energy: -46.744 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -62.041 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -80.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -916.336083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.336083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.336083 (E_RNA) where: Base-Base interactions energy: -628.986 where: short stacking energy: -265.054 Base-Backbone interact. energy: -1.523 local terms energy: -285.827653 where: bonds (distance) C4'-P energy: -56.609 bonds (distance) P-C4' energy: -62.458 flat angles C4'-P-C4' energy: -62.772 flat angles P-C4'-P energy: -31.951 tors. eta vs tors. theta energy: -72.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -870.430802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.430802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.430802 (E_RNA) where: Base-Base interactions energy: -608.379 where: short stacking energy: -246.249 Base-Backbone interact. energy: -0.461 local terms energy: -261.591174 where: bonds (distance) C4'-P energy: -51.039 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -57.618 flat angles P-C4'-P energy: -36.883 tors. eta vs tors. theta energy: -58.864 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -676.373190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.373190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.373190 (E_RNA) where: Base-Base interactions energy: -461.877 where: short stacking energy: -204.171 Base-Backbone interact. energy: 1.102 local terms energy: -215.598518 where: bonds (distance) C4'-P energy: -33.463 bonds (distance) P-C4' energy: -50.317 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -24.346 tors. eta vs tors. theta energy: -52.726 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: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -668.725094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.725094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.725094 (E_RNA) where: Base-Base interactions energy: -429.043 where: short stacking energy: -192.575 Base-Backbone interact. energy: -1.422 local terms energy: -238.260057 where: bonds (distance) C4'-P energy: -48.063 bonds (distance) P-C4' energy: -49.040 flat angles C4'-P-C4' energy: -54.685 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -48.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -486.441403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.441403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.441403 (E_RNA) where: Base-Base interactions energy: -298.229 where: short stacking energy: -147.716 Base-Backbone interact. energy: -0.911 local terms energy: -187.301800 where: bonds (distance) C4'-P energy: -36.177 bonds (distance) P-C4' energy: -55.726 flat angles C4'-P-C4' energy: -43.819 flat angles P-C4'-P energy: -27.013 tors. eta vs tors. theta energy: -24.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -420.170107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.170107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.170107 (E_RNA) where: Base-Base interactions energy: -260.096 where: short stacking energy: -112.115 Base-Backbone interact. energy: -0.622 local terms energy: -159.452477 where: bonds (distance) C4'-P energy: -38.243 bonds (distance) P-C4' energy: -51.957 flat angles C4'-P-C4' energy: -42.209 flat angles P-C4'-P energy: -23.945 tors. eta vs tors. theta energy: -3.099 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1067.485561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.485561 (E_RNA) where: Base-Base interactions energy: -754.741 where: short stacking energy: -301.554 Base-Backbone interact. energy: -0.953 local terms energy: -311.791190 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -58.514 flat angles P-C4'-P energy: -48.722 tors. eta vs tors. theta energy: -84.865 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: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1039.296006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.296006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.296006 (E_RNA) where: Base-Base interactions energy: -739.261 where: short stacking energy: -294.733 Base-Backbone interact. energy: 1.767 local terms energy: -301.802342 where: bonds (distance) C4'-P energy: -42.677 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -63.579 flat angles P-C4'-P energy: -48.924 tors. eta vs tors. theta energy: -85.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -976.002973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.002973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.002973 (E_RNA) where: Base-Base interactions energy: -674.062 where: short stacking energy: -285.366 Base-Backbone interact. energy: -0.998 local terms energy: -300.942967 where: bonds (distance) C4'-P energy: -49.830 bonds (distance) P-C4' energy: -57.111 flat angles C4'-P-C4' energy: -66.932 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -80.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -939.141061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.141061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.141061 (E_RNA) where: Base-Base interactions energy: -649.850 where: short stacking energy: -281.069 Base-Backbone interact. energy: 0.065 local terms energy: -289.356675 where: bonds (distance) C4'-P energy: -58.872 bonds (distance) P-C4' energy: -51.467 flat angles C4'-P-C4' energy: -57.927 flat angles P-C4'-P energy: -38.776 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: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -902.356616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.356616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.356616 (E_RNA) where: Base-Base interactions energy: -611.924 where: short stacking energy: -259.325 Base-Backbone interact. energy: 1.220 local terms energy: -291.653187 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -54.173 flat angles C4'-P-C4' energy: -61.443 flat angles P-C4'-P energy: -44.401 tors. eta vs tors. theta energy: -72.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -865.908235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.908235 (E_RNA) where: Base-Base interactions energy: -595.762 where: short stacking energy: -241.987 Base-Backbone interact. energy: -1.575 local terms energy: -268.570726 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -53.760 flat angles C4'-P-C4' energy: -63.254 flat angles P-C4'-P energy: -31.874 tors. eta vs tors. theta energy: -60.632 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: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -679.559098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.559098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.559098 (E_RNA) where: Base-Base interactions energy: -445.250 where: short stacking energy: -194.190 Base-Backbone interact. energy: -2.742 local terms energy: -231.567098 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -53.178 flat angles C4'-P-C4' energy: -53.192 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -31.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -655.438206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.438206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.438206 (E_RNA) where: Base-Base interactions energy: -434.563 where: short stacking energy: -196.582 Base-Backbone interact. energy: -1.715 local terms energy: -219.160853 where: bonds (distance) C4'-P energy: -45.269 bonds (distance) P-C4' energy: -55.658 flat angles C4'-P-C4' energy: -45.161 flat angles P-C4'-P energy: -31.732 tors. eta vs tors. theta energy: -41.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -489.999376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.999376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.999376 (E_RNA) where: Base-Base interactions energy: -302.425 where: short stacking energy: -153.777 Base-Backbone interact. energy: -1.751 local terms energy: -185.823273 where: bonds (distance) C4'-P energy: -41.378 bonds (distance) P-C4' energy: -40.127 flat angles C4'-P-C4' energy: -42.818 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -24.458 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: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -408.477081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.477081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.477081 (E_RNA) where: Base-Base interactions energy: -224.766 where: short stacking energy: -106.680 Base-Backbone interact. energy: 0.623 local terms energy: -184.334005 where: bonds (distance) C4'-P energy: -49.514 bonds (distance) P-C4' energy: -52.434 flat angles C4'-P-C4' energy: -43.421 flat angles P-C4'-P energy: -22.367 tors. eta vs tors. theta energy: -16.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1068.267385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.267385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.267385 (E_RNA) where: Base-Base interactions energy: -758.029 where: short stacking energy: -308.435 Base-Backbone interact. energy: -2.015 local terms energy: -308.223073 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -55.185 flat angles C4'-P-C4' energy: -65.220 flat angles P-C4'-P energy: -38.101 tors. eta vs tors. theta energy: -92.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1054.285868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.285868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.285868 (E_RNA) where: Base-Base interactions energy: -747.095 where: short stacking energy: -300.766 Base-Backbone interact. energy: 0.135 local terms energy: -307.325494 where: bonds (distance) C4'-P energy: -58.466 bonds (distance) P-C4' energy: -61.020 flat angles C4'-P-C4' energy: -67.178 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -81.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -978.305032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.305032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.305032 (E_RNA) where: Base-Base interactions energy: -691.643 where: short stacking energy: -286.919 Base-Backbone interact. energy: -0.687 local terms energy: -285.975338 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -53.372 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -35.953 tors. eta vs tors. theta energy: -77.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -912.020356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.020356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.020356 (E_RNA) where: Base-Base interactions energy: -627.361 where: short stacking energy: -269.789 Base-Backbone interact. energy: -1.938 local terms energy: -282.720918 where: bonds (distance) C4'-P energy: -64.216 bonds (distance) P-C4' energy: -46.958 flat angles C4'-P-C4' energy: -55.277 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -73.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -888.394056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.394056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.394056 (E_RNA) where: Base-Base interactions energy: -603.679 where: short stacking energy: -255.597 Base-Backbone interact. energy: -2.548 local terms energy: -282.167095 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -53.066 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: -70.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -848.029155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.029155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.029155 (E_RNA) where: Base-Base interactions energy: -593.220 where: short stacking energy: -241.228 Base-Backbone interact. energy: 3.787 local terms energy: -258.596776 where: bonds (distance) C4'-P energy: -48.923 bonds (distance) P-C4' energy: -49.051 flat angles C4'-P-C4' energy: -59.006 flat angles P-C4'-P energy: -36.795 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: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -675.538827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.538827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.538827 (E_RNA) where: Base-Base interactions energy: -437.128 where: short stacking energy: -183.763 Base-Backbone interact. energy: -0.738 local terms energy: -237.672599 where: bonds (distance) C4'-P energy: -46.546 bonds (distance) P-C4' energy: -53.693 flat angles C4'-P-C4' energy: -55.801 flat angles P-C4'-P energy: -34.295 tors. eta vs tors. theta energy: -47.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -592.105307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.105307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.105307 (E_RNA) where: Base-Base interactions energy: -397.369 where: short stacking energy: -169.829 Base-Backbone interact. energy: -0.503 local terms energy: -194.233707 where: bonds (distance) C4'-P energy: -36.824 bonds (distance) P-C4' energy: -48.975 flat angles C4'-P-C4' energy: -50.559 flat angles P-C4'-P energy: -31.071 tors. eta vs tors. theta energy: -26.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -494.917646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.917646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.917646 (E_RNA) where: Base-Base interactions energy: -302.023 where: short stacking energy: -129.701 Base-Backbone interact. energy: 0.121 local terms energy: -193.015983 where: bonds (distance) C4'-P energy: -41.206 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -42.503 flat angles P-C4'-P energy: -32.364 tors. eta vs tors. theta energy: -19.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -414.075228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.075228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.075228 (E_RNA) where: Base-Base interactions energy: -223.420 where: short stacking energy: -111.295 Base-Backbone interact. energy: 1.816 local terms energy: -192.471228 where: bonds (distance) C4'-P energy: -49.370 bonds (distance) P-C4' energy: -52.347 flat angles C4'-P-C4' energy: -49.364 flat angles P-C4'-P energy: -28.424 tors. eta vs tors. theta energy: -12.965 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: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1060.650345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.650345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.650345 (E_RNA) where: Base-Base interactions energy: -745.817 where: short stacking energy: -300.018 Base-Backbone interact. energy: -1.990 local terms energy: -312.842975 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -56.705 flat angles C4'-P-C4' energy: -68.588 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -82.983 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: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1028.978788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.978788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.978788 (E_RNA) where: Base-Base interactions energy: -714.915 where: short stacking energy: -284.056 Base-Backbone interact. energy: -1.493 local terms energy: -312.570289 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -58.812 flat angles C4'-P-C4' energy: -57.370 flat angles P-C4'-P energy: -52.926 tors. eta vs tors. theta energy: -79.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -958.802665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.802665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.802665 (E_RNA) where: Base-Base interactions energy: -666.361 where: short stacking energy: -293.335 Base-Backbone interact. energy: -0.768 local terms energy: -291.673061 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -63.098 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -78.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -942.301156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.301156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.301156 (E_RNA) where: Base-Base interactions energy: -668.377 where: short stacking energy: -281.314 Base-Backbone interact. energy: -1.690 local terms energy: -272.234002 where: bonds (distance) C4'-P energy: -43.859 bonds (distance) P-C4' energy: -59.725 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -34.446 tors. eta vs tors. theta energy: -75.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -899.777181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.777181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.777181 (E_RNA) where: Base-Base interactions energy: -612.537 where: short stacking energy: -239.759 Base-Backbone interact. energy: -1.539 local terms energy: -285.701819 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -60.038 flat angles P-C4'-P energy: -31.370 tors. eta vs tors. theta energy: -71.116 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: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -832.763372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.763372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.763372 (E_RNA) where: Base-Base interactions energy: -580.814 where: short stacking energy: -224.876 Base-Backbone interact. energy: -2.727 local terms energy: -249.222034 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -50.051 flat angles C4'-P-C4' energy: -56.515 flat angles P-C4'-P energy: -27.525 tors. eta vs tors. theta energy: -52.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -661.836585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.836585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.836585 (E_RNA) where: Base-Base interactions energy: -442.398 where: short stacking energy: -211.564 Base-Backbone interact. energy: -0.523 local terms energy: -218.915553 where: bonds (distance) C4'-P energy: -47.355 bonds (distance) P-C4' energy: -47.797 flat angles C4'-P-C4' energy: -47.913 flat angles P-C4'-P energy: -30.658 tors. eta vs tors. theta energy: -45.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -596.009257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.009257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.009257 (E_RNA) where: Base-Base interactions energy: -381.059 where: short stacking energy: -179.791 Base-Backbone interact. energy: -1.127 local terms energy: -213.824038 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -55.653 flat angles C4'-P-C4' energy: -42.754 flat angles P-C4'-P energy: -30.428 tors. eta vs tors. theta energy: -30.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -501.296219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.296219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.296219 (E_RNA) where: Base-Base interactions energy: -293.063 where: short stacking energy: -136.854 Base-Backbone interact. energy: -0.742 local terms energy: -207.491217 where: bonds (distance) C4'-P energy: -46.764 bonds (distance) P-C4' energy: -50.341 flat angles C4'-P-C4' energy: -52.949 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -23.214 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: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -392.088333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.088333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.088333 (E_RNA) where: Base-Base interactions energy: -205.222 where: short stacking energy: -104.016 Base-Backbone interact. energy: 5.062 local terms energy: -191.928160 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -53.842 flat angles P-C4'-P energy: -19.953 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1064.360583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.360583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.360583 (E_RNA) where: Base-Base interactions energy: -755.704 where: short stacking energy: -309.422 Base-Backbone interact. energy: -1.927 local terms energy: -306.730265 where: bonds (distance) C4'-P energy: -59.462 bonds (distance) P-C4' energy: -56.901 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: -84.381 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: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1030.695193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.695193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.695193 (E_RNA) where: Base-Base interactions energy: -727.363 where: short stacking energy: -285.456 Base-Backbone interact. energy: -3.028 local terms energy: -300.304316 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -60.568 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -77.864 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: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -967.434727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.434727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.434727 (E_RNA) where: Base-Base interactions energy: -655.217 where: short stacking energy: -288.248 Base-Backbone interact. energy: -0.548 local terms energy: -311.670541 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -57.768 flat angles C4'-P-C4' energy: -67.741 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -902.492407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.492407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.492407 (E_RNA) where: Base-Base interactions energy: -634.580 where: short stacking energy: -263.838 Base-Backbone interact. energy: -2.582 local terms energy: -265.330020 where: bonds (distance) C4'-P energy: -37.781 bonds (distance) P-C4' energy: -52.169 flat angles C4'-P-C4' energy: -61.975 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -68.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -933.721548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.721548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.721548 (E_RNA) where: Base-Base interactions energy: -641.455 where: short stacking energy: -271.938 Base-Backbone interact. energy: -1.035 local terms energy: -291.232094 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -51.888 flat angles C4'-P-C4' energy: -64.062 flat angles P-C4'-P energy: -38.099 tors. eta vs tors. theta energy: -78.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -877.511228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.511228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.511228 (E_RNA) where: Base-Base interactions energy: -610.492 where: short stacking energy: -238.381 Base-Backbone interact. energy: -0.501 local terms energy: -266.518240 where: bonds (distance) C4'-P energy: -51.616 bonds (distance) P-C4' energy: -52.262 flat angles C4'-P-C4' energy: -57.111 flat angles P-C4'-P energy: -47.190 tors. eta vs tors. theta energy: -58.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -622.350918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.350918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.350918 (E_RNA) where: Base-Base interactions energy: -407.097 where: short stacking energy: -183.573 Base-Backbone interact. energy: -1.396 local terms energy: -213.858010 where: bonds (distance) C4'-P energy: -41.446 bonds (distance) P-C4' energy: -53.624 flat angles C4'-P-C4' energy: -49.554 flat angles P-C4'-P energy: -35.443 tors. eta vs tors. theta energy: -33.791 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: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -678.560478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.560478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.560478 (E_RNA) where: Base-Base interactions energy: -465.813 where: short stacking energy: -195.814 Base-Backbone interact. energy: -1.629 local terms energy: -211.118280 where: bonds (distance) C4'-P energy: -44.931 bonds (distance) P-C4' energy: -41.533 flat angles C4'-P-C4' energy: -55.187 flat angles P-C4'-P energy: -29.968 tors. eta vs tors. theta energy: -39.500 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -464.932135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.932135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.932135 (E_RNA) where: Base-Base interactions energy: -279.732 where: short stacking energy: -137.974 Base-Backbone interact. energy: -1.022 local terms energy: -184.178316 where: bonds (distance) C4'-P energy: -43.676 bonds (distance) P-C4' energy: -52.721 flat angles C4'-P-C4' energy: -42.931 flat angles P-C4'-P energy: -30.462 tors. eta vs tors. theta energy: -14.389 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: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -381.502502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.502502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.502502 (E_RNA) where: Base-Base interactions energy: -210.253 where: short stacking energy: -106.321 Base-Backbone interact. energy: -1.332 local terms energy: -169.917986 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -40.685 flat angles C4'-P-C4' energy: -53.860 flat angles P-C4'-P energy: -16.482 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1071.446224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.446224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.446224 (E_RNA) where: Base-Base interactions energy: -749.837 where: short stacking energy: -315.781 Base-Backbone interact. energy: -0.598 local terms energy: -321.011359 where: bonds (distance) C4'-P energy: -54.688 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -91.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1034.475358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.475358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.475358 (E_RNA) where: Base-Base interactions energy: -740.106 where: short stacking energy: -288.913 Base-Backbone interact. energy: -0.903 local terms energy: -293.466246 where: bonds (distance) C4'-P energy: -50.762 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -58.913 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -84.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -965.675954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.675954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.675954 (E_RNA) where: Base-Base interactions energy: -683.884 where: short stacking energy: -295.777 Base-Backbone interact. energy: -0.940 local terms energy: -280.851982 where: bonds (distance) C4'-P energy: -57.560 bonds (distance) P-C4' energy: -50.780 flat angles C4'-P-C4' energy: -57.266 flat angles P-C4'-P energy: -33.425 tors. eta vs tors. theta energy: -81.820 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: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -919.651107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.651107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.651107 (E_RNA) where: Base-Base interactions energy: -639.931 where: short stacking energy: -262.857 Base-Backbone interact. energy: -1.113 local terms energy: -278.606735 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -46.940 flat angles C4'-P-C4' energy: -64.947 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -69.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -915.371766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.371766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.371766 (E_RNA) where: Base-Base interactions energy: -635.831 where: short stacking energy: -273.366 Base-Backbone interact. energy: -1.268 local terms energy: -278.272510 where: bonds (distance) C4'-P energy: -53.276 bonds (distance) P-C4' energy: -47.193 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: -74.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -743.547022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.547022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.547022 (E_RNA) where: Base-Base interactions energy: -499.656 where: short stacking energy: -207.679 Base-Backbone interact. energy: -0.801 local terms energy: -243.090300 where: bonds (distance) C4'-P energy: -48.146 bonds (distance) P-C4' energy: -52.245 flat angles C4'-P-C4' energy: -55.161 flat angles P-C4'-P energy: -38.851 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: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -646.769360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.769360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.769360 (E_RNA) where: Base-Base interactions energy: -422.980 where: short stacking energy: -190.629 Base-Backbone interact. energy: -1.826 local terms energy: -221.964049 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -47.370 flat angles C4'-P-C4' energy: -42.071 flat angles P-C4'-P energy: -27.375 tors. eta vs tors. theta energy: -51.860 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: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -676.260627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.260627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.260627 (E_RNA) where: Base-Base interactions energy: -452.493 where: short stacking energy: -206.185 Base-Backbone interact. energy: 4.496 local terms energy: -228.263097 where: bonds (distance) C4'-P energy: -46.796 bonds (distance) P-C4' energy: -52.399 flat angles C4'-P-C4' energy: -50.414 flat angles P-C4'-P energy: -26.518 tors. eta vs tors. theta energy: -52.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -548.760166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.760166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.760166 (E_RNA) where: Base-Base interactions energy: -339.443 where: short stacking energy: -150.263 Base-Backbone interact. energy: -0.756 local terms energy: -208.561311 where: bonds (distance) C4'-P energy: -50.946 bonds (distance) P-C4' energy: -44.601 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -25.728 tors. eta vs tors. theta energy: -27.583 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: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -438.008290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.008290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.008290 (E_RNA) where: Base-Base interactions energy: -248.621 where: short stacking energy: -119.959 Base-Backbone interact. energy: 0.638 local terms energy: -190.025108 where: bonds (distance) C4'-P energy: -54.240 bonds (distance) P-C4' energy: -46.691 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -25.640 tors. eta vs tors. theta energy: -13.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1078.579677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.579677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.579677 (E_RNA) where: Base-Base interactions energy: -761.514 where: short stacking energy: -313.140 Base-Backbone interact. energy: -0.481 local terms energy: -316.585503 where: bonds (distance) C4'-P energy: -55.358 bonds (distance) P-C4' energy: -57.695 flat angles C4'-P-C4' energy: -66.963 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -89.574 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: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1023.880174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.880174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.880174 (E_RNA) where: Base-Base interactions energy: -723.739 where: short stacking energy: -285.945 Base-Backbone interact. energy: -1.739 local terms energy: -298.402809 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -54.469 flat angles C4'-P-C4' energy: -63.397 flat angles P-C4'-P energy: -40.086 tors. eta vs tors. theta energy: -84.988 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -971.426479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.426479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.426479 (E_RNA) where: Base-Base interactions energy: -679.209 where: short stacking energy: -295.769 Base-Backbone interact. energy: 1.678 local terms energy: -293.894914 where: bonds (distance) C4'-P energy: -57.262 bonds (distance) P-C4' energy: -57.413 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -80.219 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: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -927.442437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.442437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.442437 (E_RNA) where: Base-Base interactions energy: -643.638 where: short stacking energy: -272.362 Base-Backbone interact. energy: -1.027 local terms energy: -282.777115 where: bonds (distance) C4'-P energy: -51.155 bonds (distance) P-C4' energy: -55.105 flat angles C4'-P-C4' energy: -64.243 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -73.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -903.660046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.660046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.660046 (E_RNA) where: Base-Base interactions energy: -617.960 where: short stacking energy: -258.907 Base-Backbone interact. energy: 0.580 local terms energy: -286.279585 where: bonds (distance) C4'-P energy: -55.022 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -56.600 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: -75.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -884.112229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.112229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.112229 (E_RNA) where: Base-Base interactions energy: -631.722 where: short stacking energy: -254.026 Base-Backbone interact. energy: -0.186 local terms energy: -252.203702 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -44.296 flat angles C4'-P-C4' energy: -51.668 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -57.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -695.214550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.214550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.214550 (E_RNA) where: Base-Base interactions energy: -470.387 where: short stacking energy: -206.629 Base-Backbone interact. energy: -0.251 local terms energy: -224.576627 where: bonds (distance) C4'-P energy: -41.521 bonds (distance) P-C4' energy: -50.998 flat angles C4'-P-C4' energy: -59.288 flat angles P-C4'-P energy: -23.944 tors. eta vs tors. theta energy: -48.826 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -585.228220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.228220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.228220 (E_RNA) where: Base-Base interactions energy: -400.142 where: short stacking energy: -197.267 Base-Backbone interact. energy: 3.273 local terms energy: -188.358692 where: bonds (distance) C4'-P energy: -43.891 bonds (distance) P-C4' energy: -35.379 flat angles C4'-P-C4' energy: -45.567 flat angles P-C4'-P energy: -26.059 tors. eta vs tors. theta energy: -37.463 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: 348 Temperature: 1.300000 Total energy: -564.181904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.181904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.181904 (E_RNA) where: Base-Base interactions energy: -365.852 where: short stacking energy: -159.524 Base-Backbone interact. energy: -0.555 local terms energy: -197.775011 where: bonds (distance) C4'-P energy: -50.734 bonds (distance) P-C4' energy: -47.888 flat angles C4'-P-C4' energy: -47.488 flat angles P-C4'-P energy: -25.610 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: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -413.143764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.143764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.143764 (E_RNA) where: Base-Base interactions energy: -244.347 where: short stacking energy: -112.877 Base-Backbone interact. energy: -2.241 local terms energy: -166.556206 where: bonds (distance) C4'-P energy: -46.290 bonds (distance) P-C4' energy: -36.200 flat angles C4'-P-C4' energy: -47.219 flat angles P-C4'-P energy: -24.494 tors. eta vs tors. theta energy: -12.353 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: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1069.363142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.363142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.363142 (E_RNA) where: Base-Base interactions energy: -750.779 where: short stacking energy: -303.586 Base-Backbone interact. energy: -0.690 local terms energy: -317.893959 where: bonds (distance) C4'-P energy: -62.066 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -92.201 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: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1029.940955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.940955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.940955 (E_RNA) where: Base-Base interactions energy: -734.679 where: short stacking energy: -290.955 Base-Backbone interact. energy: -1.409 local terms energy: -293.852372 where: bonds (distance) C4'-P energy: -53.631 bonds (distance) P-C4' energy: -53.747 flat angles C4'-P-C4' energy: -60.031 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -82.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -965.627629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.627629 (E_RNA) where: Base-Base interactions energy: -666.662 where: short stacking energy: -274.768 Base-Backbone interact. energy: -1.730 local terms energy: -297.235407 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -57.156 flat angles C4'-P-C4' energy: -66.116 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -72.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -912.205334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.205334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.205334 (E_RNA) where: Base-Base interactions energy: -637.495 where: short stacking energy: -250.689 Base-Backbone interact. energy: -1.536 local terms energy: -273.174595 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -48.875 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -32.844 tors. eta vs tors. theta energy: -72.064 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -917.458725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.458725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.458725 (E_RNA) where: Base-Base interactions energy: -649.194 where: short stacking energy: -270.042 Base-Backbone interact. energy: 2.013 local terms energy: -270.278136 where: bonds (distance) C4'-P energy: -51.254 bonds (distance) P-C4' energy: -49.910 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -65.704 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: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -845.468779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.468779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.468779 (E_RNA) where: Base-Base interactions energy: -593.633 where: short stacking energy: -245.054 Base-Backbone interact. energy: -1.462 local terms energy: -250.373437 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -41.380 flat angles C4'-P-C4' energy: -60.848 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -62.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -715.563833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.563833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.563833 (E_RNA) where: Base-Base interactions energy: -486.304 where: short stacking energy: -215.439 Base-Backbone interact. energy: 0.665 local terms energy: -229.923951 where: bonds (distance) C4'-P energy: -46.238 bonds (distance) P-C4' energy: -48.896 flat angles C4'-P-C4' energy: -52.208 flat angles P-C4'-P energy: -36.024 tors. eta vs tors. theta energy: -46.558 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: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -662.734122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.734122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.734122 (E_RNA) where: Base-Base interactions energy: -446.369 where: short stacking energy: -191.364 Base-Backbone interact. energy: 2.629 local terms energy: -218.993401 where: bonds (distance) C4'-P energy: -49.837 bonds (distance) P-C4' energy: -50.957 flat angles C4'-P-C4' energy: -44.560 flat angles P-C4'-P energy: -32.495 tors. eta vs tors. theta energy: -41.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -586.145825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.145825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.145825 (E_RNA) where: Base-Base interactions energy: -359.649 where: short stacking energy: -145.975 Base-Backbone interact. energy: -0.867 local terms energy: -225.628927 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -53.828 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: -28.228 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: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -459.172696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.172696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.172696 (E_RNA) where: Base-Base interactions energy: -262.880 where: short stacking energy: -132.214 Base-Backbone interact. energy: -1.142 local terms energy: -195.150656 where: bonds (distance) C4'-P energy: -54.954 bonds (distance) P-C4' energy: -43.926 flat angles C4'-P-C4' energy: -46.552 flat angles P-C4'-P energy: -26.722 tors. eta vs tors. theta energy: -22.997 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: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1043.894624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.894624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.894624 (E_RNA) where: Base-Base interactions energy: -737.926 where: short stacking energy: -303.753 Base-Backbone interact. energy: -1.088 local terms energy: -304.880629 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -60.356 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -76.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1052.929871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.929871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.929871 (E_RNA) where: Base-Base interactions energy: -736.251 where: short stacking energy: -285.387 Base-Backbone interact. energy: -0.116 local terms energy: -316.563470 where: bonds (distance) C4'-P energy: -63.186 bonds (distance) P-C4' energy: -52.691 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -90.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -972.744696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.744696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.744696 (E_RNA) where: Base-Base interactions energy: -678.439 where: short stacking energy: -277.802 Base-Backbone interact. energy: -1.041 local terms energy: -293.263927 where: bonds (distance) C4'-P energy: -54.235 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -56.916 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: -85.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -933.276448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.276448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.276448 (E_RNA) where: Base-Base interactions energy: -644.726 where: short stacking energy: -274.090 Base-Backbone interact. energy: -0.978 local terms energy: -287.572356 where: bonds (distance) C4'-P energy: -53.610 bonds (distance) P-C4' energy: -53.120 flat angles C4'-P-C4' energy: -62.856 flat angles P-C4'-P energy: -29.181 tors. eta vs tors. theta energy: -88.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -905.700739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.700739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.700739 (E_RNA) where: Base-Base interactions energy: -617.490 where: short stacking energy: -277.003 Base-Backbone interact. energy: -1.763 local terms energy: -286.448102 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -57.506 flat angles C4'-P-C4' energy: -63.349 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -76.740 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -810.890439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.890439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.890439 (E_RNA) where: Base-Base interactions energy: -564.100 where: short stacking energy: -232.079 Base-Backbone interact. energy: 2.409 local terms energy: -249.199698 where: bonds (distance) C4'-P energy: -48.951 bonds (distance) P-C4' energy: -54.834 flat angles C4'-P-C4' energy: -56.544 flat angles P-C4'-P energy: -37.494 tors. eta vs tors. theta energy: -51.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -656.603646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.603646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.603646 (E_RNA) where: Base-Base interactions energy: -436.737 where: short stacking energy: -197.403 Base-Backbone interact. energy: -2.721 local terms energy: -217.145185 where: bonds (distance) C4'-P energy: -45.355 bonds (distance) P-C4' energy: -48.380 flat angles C4'-P-C4' energy: -49.608 flat angles P-C4'-P energy: -26.749 tors. eta vs tors. theta energy: -47.052 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: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -700.104270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.104270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.104270 (E_RNA) where: Base-Base interactions energy: -460.430 where: short stacking energy: -190.705 Base-Backbone interact. energy: 2.958 local terms energy: -242.631813 where: bonds (distance) C4'-P energy: -47.241 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -52.462 flat angles P-C4'-P energy: -39.477 tors. eta vs tors. theta energy: -47.782 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: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -600.574305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.574305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.574305 (E_RNA) where: Base-Base interactions energy: -389.853 where: short stacking energy: -176.019 Base-Backbone interact. energy: 2.084 local terms energy: -212.804993 where: bonds (distance) C4'-P energy: -49.879 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -49.410 flat angles P-C4'-P energy: -24.044 tors. eta vs tors. theta energy: -33.773 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: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -449.436543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.436543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.436543 (E_RNA) where: Base-Base interactions energy: -276.704 where: short stacking energy: -118.806 Base-Backbone interact. energy: -0.003 local terms energy: -172.729093 where: bonds (distance) C4'-P energy: -51.094 bonds (distance) P-C4' energy: -50.319 flat angles C4'-P-C4' energy: -36.015 flat angles P-C4'-P energy: -25.948 tors. eta vs tors. theta energy: -9.353 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: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1065.258107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.258107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.258107 (E_RNA) where: Base-Base interactions energy: -743.342 where: short stacking energy: -309.457 Base-Backbone interact. energy: -0.721 local terms energy: -321.194335 where: bonds (distance) C4'-P energy: -56.214 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -86.409 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: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1039.017070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.017070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.017070 (E_RNA) where: Base-Base interactions energy: -736.607 where: short stacking energy: -305.535 Base-Backbone interact. energy: 2.105 local terms energy: -304.514948 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -81.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -991.485421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.485421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.485421 (E_RNA) where: Base-Base interactions energy: -690.816 where: short stacking energy: -311.400 Base-Backbone interact. energy: -1.166 local terms energy: -299.503244 where: bonds (distance) C4'-P energy: -51.244 bonds (distance) P-C4' energy: -53.375 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -86.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -935.916321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.916321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.916321 (E_RNA) where: Base-Base interactions energy: -639.257 where: short stacking energy: -267.435 Base-Backbone interact. energy: -1.286 local terms energy: -295.373672 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -53.481 flat angles C4'-P-C4' energy: -63.592 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -79.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -863.869808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.869808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.869808 (E_RNA) where: Base-Base interactions energy: -593.663 where: short stacking energy: -259.378 Base-Backbone interact. energy: -1.520 local terms energy: -268.687082 where: bonds (distance) C4'-P energy: -56.870 bonds (distance) P-C4' energy: -46.536 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -63.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -776.471559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.471559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.471559 (E_RNA) where: Base-Base interactions energy: -519.779 where: short stacking energy: -236.059 Base-Backbone interact. energy: 0.519 local terms energy: -257.211698 where: bonds (distance) C4'-P energy: -42.350 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -55.545 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: -63.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -660.397492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.397492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.397492 (E_RNA) where: Base-Base interactions energy: -440.165 where: short stacking energy: -214.225 Base-Backbone interact. energy: -0.691 local terms energy: -219.541555 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -53.467 flat angles C4'-P-C4' energy: -37.222 flat angles P-C4'-P energy: -24.857 tors. eta vs tors. theta energy: -48.029 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -720.451057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.451057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.451057 (E_RNA) where: Base-Base interactions energy: -474.135 where: short stacking energy: -218.200 Base-Backbone interact. energy: 1.536 local terms energy: -247.851566 where: bonds (distance) C4'-P energy: -54.335 bonds (distance) P-C4' energy: -49.174 flat angles C4'-P-C4' energy: -53.971 flat angles P-C4'-P energy: -41.955 tors. eta vs tors. theta energy: -48.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -569.254429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.254429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.254429 (E_RNA) where: Base-Base interactions energy: -364.412 where: short stacking energy: -167.746 Base-Backbone interact. energy: -0.275 local terms energy: -204.567309 where: bonds (distance) C4'-P energy: -42.804 bonds (distance) P-C4' energy: -46.106 flat angles C4'-P-C4' energy: -53.651 flat angles P-C4'-P energy: -35.270 tors. eta vs tors. theta energy: -26.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -462.896878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.896878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.896878 (E_RNA) where: Base-Base interactions energy: -284.069 where: short stacking energy: -132.930 Base-Backbone interact. energy: 0.160 local terms energy: -178.988120 where: bonds (distance) C4'-P energy: -47.715 bonds (distance) P-C4' energy: -48.792 flat angles C4'-P-C4' energy: -38.950 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1073.431140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.431140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.431140 (E_RNA) where: Base-Base interactions energy: -749.480 where: short stacking energy: -317.098 Base-Backbone interact. energy: -1.525 local terms energy: -322.426108 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -61.228 flat angles C4'-P-C4' energy: -68.126 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -88.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1033.753322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.753322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.753322 (E_RNA) where: Base-Base interactions energy: -749.416 where: short stacking energy: -286.359 Base-Backbone interact. energy: -0.180 local terms energy: -284.157458 where: bonds (distance) C4'-P energy: -54.567 bonds (distance) P-C4' energy: -47.274 flat angles C4'-P-C4' energy: -62.638 flat angles P-C4'-P energy: -39.576 tors. eta vs tors. theta energy: -80.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -988.002947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.002947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.002947 (E_RNA) where: Base-Base interactions energy: -674.805 where: short stacking energy: -290.140 Base-Backbone interact. energy: 0.853 local terms energy: -314.051426 where: bonds (distance) C4'-P energy: -55.365 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -48.447 tors. eta vs tors. theta energy: -80.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -938.795588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.795588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.795588 (E_RNA) where: Base-Base interactions energy: -652.684 where: short stacking energy: -267.137 Base-Backbone interact. energy: -2.065 local terms energy: -284.046359 where: bonds (distance) C4'-P energy: -45.760 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -66.977 flat angles P-C4'-P energy: -34.519 tors. eta vs tors. theta energy: -74.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -793.382422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.382422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.382422 (E_RNA) where: Base-Base interactions energy: -542.440 where: short stacking energy: -230.786 Base-Backbone interact. energy: 1.784 local terms energy: -252.726820 where: bonds (distance) C4'-P energy: -47.693 bonds (distance) P-C4' energy: -55.269 flat angles C4'-P-C4' energy: -58.509 flat angles P-C4'-P energy: -34.915 tors. eta vs tors. theta energy: -56.341 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: 352 Temperature: 1.150000 Total energy: -851.182437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.182437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.182437 (E_RNA) where: Base-Base interactions energy: -590.489 where: short stacking energy: -268.416 Base-Backbone interact. energy: -0.985 local terms energy: -259.708736 where: bonds (distance) C4'-P energy: -36.830 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -56.702 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: -72.722 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: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -680.942340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.942340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.942340 (E_RNA) where: Base-Base interactions energy: -432.416 where: short stacking energy: -187.442 Base-Backbone interact. energy: 0.730 local terms energy: -249.256602 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -55.143 flat angles C4'-P-C4' energy: -53.244 flat angles P-C4'-P energy: -37.146 tors. eta vs tors. theta energy: -50.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -640.665290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.665290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.665290 (E_RNA) where: Base-Base interactions energy: -427.943 where: short stacking energy: -186.762 Base-Backbone interact. energy: 2.416 local terms energy: -215.139240 where: bonds (distance) C4'-P energy: -40.235 bonds (distance) P-C4' energy: -45.646 flat angles C4'-P-C4' energy: -54.650 flat angles P-C4'-P energy: -40.039 tors. eta vs tors. theta energy: -34.569 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: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -546.718286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.718286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.718286 (E_RNA) where: Base-Base interactions energy: -350.359 where: short stacking energy: -157.964 Base-Backbone interact. energy: -0.056 local terms energy: -196.303165 where: bonds (distance) C4'-P energy: -53.551 bonds (distance) P-C4' energy: -49.185 flat angles C4'-P-C4' energy: -45.738 flat angles P-C4'-P energy: -23.977 tors. eta vs tors. theta energy: -23.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -471.918642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.918642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.918642 (E_RNA) where: Base-Base interactions energy: -286.775 where: short stacking energy: -136.659 Base-Backbone interact. energy: -2.869 local terms energy: -182.274715 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -43.048 flat angles C4'-P-C4' energy: -39.260 flat angles P-C4'-P energy: -34.613 tors. eta vs tors. theta energy: -9.943 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: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1087.054476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.054476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.054476 (E_RNA) where: Base-Base interactions energy: -768.036 where: short stacking energy: -321.014 Base-Backbone interact. energy: -0.767 local terms energy: -318.251063 where: bonds (distance) C4'-P energy: -48.697 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -70.843 flat angles P-C4'-P energy: -42.690 tors. eta vs tors. theta energy: -93.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1043.518633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.518633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.518633 (E_RNA) where: Base-Base interactions energy: -739.239 where: short stacking energy: -294.955 Base-Backbone interact. energy: -1.744 local terms energy: -302.536109 where: bonds (distance) C4'-P energy: -55.423 bonds (distance) P-C4' energy: -56.411 flat angles C4'-P-C4' energy: -65.571 flat angles P-C4'-P energy: -44.760 tors. eta vs tors. theta energy: -80.372 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: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -994.994315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.994315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.994315 (E_RNA) where: Base-Base interactions energy: -700.198 where: short stacking energy: -294.173 Base-Backbone interact. energy: -1.718 local terms energy: -293.078176 where: bonds (distance) C4'-P energy: -50.117 bonds (distance) P-C4' energy: -53.376 flat angles C4'-P-C4' energy: -60.779 flat angles P-C4'-P energy: -38.150 tors. eta vs tors. theta energy: -90.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -946.749284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.749284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.749284 (E_RNA) where: Base-Base interactions energy: -662.764 where: short stacking energy: -285.865 Base-Backbone interact. energy: -0.796 local terms energy: -283.189277 where: bonds (distance) C4'-P energy: -51.108 bonds (distance) P-C4' energy: -50.964 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -35.940 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: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -815.113060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.113060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.113060 (E_RNA) where: Base-Base interactions energy: -557.457 where: short stacking energy: -242.961 Base-Backbone interact. energy: -1.431 local terms energy: -256.225148 where: bonds (distance) C4'-P energy: -52.757 bonds (distance) P-C4' energy: -52.250 flat angles C4'-P-C4' energy: -57.996 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: -62.584 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: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -826.230166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.230166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.230166 (E_RNA) where: Base-Base interactions energy: -560.175 where: short stacking energy: -254.681 Base-Backbone interact. energy: -1.854 local terms energy: -264.200897 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -52.976 flat angles C4'-P-C4' energy: -56.884 flat angles P-C4'-P energy: -32.772 tors. eta vs tors. theta energy: -67.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -668.200685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.200685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.200685 (E_RNA) where: Base-Base interactions energy: -449.016 where: short stacking energy: -205.667 Base-Backbone interact. energy: -0.737 local terms energy: -218.447854 where: bonds (distance) C4'-P energy: -51.814 bonds (distance) P-C4' energy: -46.663 flat angles C4'-P-C4' energy: -47.315 flat angles P-C4'-P energy: -32.327 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: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -668.682643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.682643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.682643 (E_RNA) where: Base-Base interactions energy: -454.314 where: short stacking energy: -202.305 Base-Backbone interact. energy: 0.452 local terms energy: -214.820842 where: bonds (distance) C4'-P energy: -49.123 bonds (distance) P-C4' energy: -51.508 flat angles C4'-P-C4' energy: -48.103 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -39.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -548.241917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.241917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.241917 (E_RNA) where: Base-Base interactions energy: -334.247 where: short stacking energy: -163.868 Base-Backbone interact. energy: -1.011 local terms energy: -212.984313 where: bonds (distance) C4'-P energy: -46.462 bonds (distance) P-C4' energy: -49.851 flat angles C4'-P-C4' energy: -53.597 flat angles P-C4'-P energy: -23.373 tors. eta vs tors. theta energy: -39.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -475.514404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.514404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.514404 (E_RNA) where: Base-Base interactions energy: -283.695 where: short stacking energy: -142.385 Base-Backbone interact. energy: 0.641 local terms energy: -192.460917 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -40.936 flat angles P-C4'-P energy: -26.531 tors. eta vs tors. theta energy: -21.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1057.665767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.665767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.665767 (E_RNA) where: Base-Base interactions energy: -740.420 where: short stacking energy: -300.396 Base-Backbone interact. energy: -0.566 local terms energy: -316.679507 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -65.283 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -91.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1036.814194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.814194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.814194 (E_RNA) where: Base-Base interactions energy: -730.310 where: short stacking energy: -278.106 Base-Backbone interact. energy: 0.073 local terms energy: -306.576895 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -62.690 flat angles C4'-P-C4' energy: -63.497 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -82.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -994.131033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.131033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.131033 (E_RNA) where: Base-Base interactions energy: -682.064 where: short stacking energy: -290.529 Base-Backbone interact. energy: -2.312 local terms energy: -309.754649 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -55.098 flat angles C4'-P-C4' energy: -66.848 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -79.687 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -921.916766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.916766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.916766 (E_RNA) where: Base-Base interactions energy: -656.336 where: short stacking energy: -272.841 Base-Backbone interact. energy: 3.476 local terms energy: -269.057001 where: bonds (distance) C4'-P energy: -39.313 bonds (distance) P-C4' energy: -59.319 flat angles C4'-P-C4' energy: -62.541 flat angles P-C4'-P energy: -38.822 tors. eta vs tors. theta energy: -69.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -870.235214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.235214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.235214 (E_RNA) where: Base-Base interactions energy: -584.988 where: short stacking energy: -258.615 Base-Backbone interact. energy: -0.723 local terms energy: -284.524646 where: bonds (distance) C4'-P energy: -54.259 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -37.118 tors. eta vs tors. theta energy: -69.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -795.777923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.777923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.777923 (E_RNA) where: Base-Base interactions energy: -521.424 where: short stacking energy: -221.282 Base-Backbone interact. energy: -1.064 local terms energy: -273.290214 where: bonds (distance) C4'-P energy: -51.644 bonds (distance) P-C4' energy: -57.561 flat angles C4'-P-C4' energy: -54.673 flat angles P-C4'-P energy: -46.012 tors. eta vs tors. theta energy: -63.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -729.593980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.593980 (E_RNA) where: Base-Base interactions energy: -482.718 where: short stacking energy: -210.913 Base-Backbone interact. energy: -2.058 local terms energy: -244.818369 where: bonds (distance) C4'-P energy: -49.238 bonds (distance) P-C4' energy: -56.362 flat angles C4'-P-C4' energy: -53.730 flat angles P-C4'-P energy: -41.946 tors. eta vs tors. theta energy: -43.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -606.251005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.251005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.251005 (E_RNA) where: Base-Base interactions energy: -407.522 where: short stacking energy: -176.904 Base-Backbone interact. energy: -2.163 local terms energy: -196.565429 where: bonds (distance) C4'-P energy: -38.524 bonds (distance) P-C4' energy: -47.093 flat angles C4'-P-C4' energy: -53.739 flat angles P-C4'-P energy: -32.822 tors. eta vs tors. theta energy: -24.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -564.448671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.448671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.448671 (E_RNA) where: Base-Base interactions energy: -338.549 where: short stacking energy: -158.645 Base-Backbone interact. energy: -0.248 local terms energy: -225.651563 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -54.874 flat angles C4'-P-C4' energy: -46.422 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -35.274 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: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -479.972902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.972902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.972902 (E_RNA) where: Base-Base interactions energy: -301.684 where: short stacking energy: -159.888 Base-Backbone interact. energy: 9.467 local terms energy: -187.756278 where: bonds (distance) C4'-P energy: -48.849 bonds (distance) P-C4' energy: -38.364 flat angles C4'-P-C4' energy: -41.318 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -19.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1089.041545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.041545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.041545 (E_RNA) where: Base-Base interactions energy: -771.371 where: short stacking energy: -316.818 Base-Backbone interact. energy: -2.399 local terms energy: -315.270893 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -63.216 flat angles P-C4'-P energy: -44.242 tors. eta vs tors. theta energy: -90.273 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: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1020.506490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.506490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.506490 (E_RNA) where: Base-Base interactions energy: -717.674 where: short stacking energy: -290.555 Base-Backbone interact. energy: -0.652 local terms energy: -302.179837 where: bonds (distance) C4'-P energy: -48.302 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -67.177 flat angles P-C4'-P energy: -45.696 tors. eta vs tors. theta energy: -82.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -961.553999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.553999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.553999 (E_RNA) where: Base-Base interactions energy: -671.241 where: short stacking energy: -285.501 Base-Backbone interact. energy: -2.059 local terms energy: -288.253689 where: bonds (distance) C4'-P energy: -51.040 bonds (distance) P-C4' energy: -53.170 flat angles C4'-P-C4' energy: -58.993 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -84.135 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -951.584239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.584239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.584239 (E_RNA) where: Base-Base interactions energy: -666.492 where: short stacking energy: -287.245 Base-Backbone interact. energy: -0.144 local terms energy: -284.949041 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -59.299 flat angles P-C4'-P energy: -35.990 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: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -864.544582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.544582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.544582 (E_RNA) where: Base-Base interactions energy: -591.654 where: short stacking energy: -243.234 Base-Backbone interact. energy: -0.506 local terms energy: -272.384951 where: bonds (distance) C4'-P energy: -54.711 bonds (distance) P-C4' energy: -51.652 flat angles C4'-P-C4' energy: -62.491 flat angles P-C4'-P energy: -36.630 tors. eta vs tors. theta energy: -66.901 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: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -781.625872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.625872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.625872 (E_RNA) where: Base-Base interactions energy: -516.338 where: short stacking energy: -237.872 Base-Backbone interact. energy: -0.015 local terms energy: -265.272928 where: bonds (distance) C4'-P energy: -62.875 bonds (distance) P-C4' energy: -49.086 flat angles C4'-P-C4' energy: -55.369 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -60.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -710.241942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.241942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.241942 (E_RNA) where: Base-Base interactions energy: -471.797 where: short stacking energy: -223.456 Base-Backbone interact. energy: 2.144 local terms energy: -240.589295 where: bonds (distance) C4'-P energy: -49.861 bonds (distance) P-C4' energy: -51.660 flat angles C4'-P-C4' energy: -51.444 flat angles P-C4'-P energy: -24.189 tors. eta vs tors. theta energy: -63.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -624.529637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.529637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.529637 (E_RNA) where: Base-Base interactions energy: -394.100 where: short stacking energy: -205.542 Base-Backbone interact. energy: -0.544 local terms energy: -229.885937 where: bonds (distance) C4'-P energy: -49.373 bonds (distance) P-C4' energy: -49.345 flat angles C4'-P-C4' energy: -52.890 flat angles P-C4'-P energy: -35.310 tors. eta vs tors. theta energy: -42.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -619.370998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.370998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.370998 (E_RNA) where: Base-Base interactions energy: -405.405 where: short stacking energy: -183.255 Base-Backbone interact. energy: 2.193 local terms energy: -216.159303 where: bonds (distance) C4'-P energy: -47.873 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -47.580 flat angles P-C4'-P energy: -25.790 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: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -415.999325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.999325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.999325 (E_RNA) where: Base-Base interactions energy: -267.798 where: short stacking energy: -135.217 Base-Backbone interact. energy: 0.746 local terms energy: -148.947473 where: bonds (distance) C4'-P energy: -40.271 bonds (distance) P-C4' energy: -37.796 flat angles C4'-P-C4' energy: -41.106 flat angles P-C4'-P energy: -20.674 tors. eta vs tors. theta energy: -9.100 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: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1073.407309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.407309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.407309 (E_RNA) where: Base-Base interactions energy: -758.448 where: short stacking energy: -317.302 Base-Backbone interact. energy: -0.192 local terms energy: -314.767588 where: bonds (distance) C4'-P energy: -55.837 bonds (distance) P-C4' energy: -57.388 flat angles C4'-P-C4' energy: -63.890 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -90.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1012.237540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.237540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.237540 (E_RNA) where: Base-Base interactions energy: -723.531 where: short stacking energy: -282.658 Base-Backbone interact. energy: -1.757 local terms energy: -286.950003 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -53.505 flat angles C4'-P-C4' energy: -60.487 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -70.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -965.127068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.127068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.127068 (E_RNA) where: Base-Base interactions energy: -669.949 where: short stacking energy: -282.751 Base-Backbone interact. energy: -0.734 local terms energy: -294.443971 where: bonds (distance) C4'-P energy: -46.420 bonds (distance) P-C4' energy: -57.607 flat angles C4'-P-C4' energy: -59.880 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -88.274 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -934.254180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.254180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.254180 (E_RNA) where: Base-Base interactions energy: -658.785 where: short stacking energy: -275.374 Base-Backbone interact. energy: -1.689 local terms energy: -273.779800 where: bonds (distance) C4'-P energy: -45.219 bonds (distance) P-C4' energy: -53.287 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -35.423 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: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -858.570347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.570347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.570347 (E_RNA) where: Base-Base interactions energy: -581.907 where: short stacking energy: -258.946 Base-Backbone interact. energy: -2.130 local terms energy: -274.533846 where: bonds (distance) C4'-P energy: -40.917 bonds (distance) P-C4' energy: -58.285 flat angles C4'-P-C4' energy: -58.363 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -76.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -772.259184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.259184 (E_RNA) where: Base-Base interactions energy: -517.910 where: short stacking energy: -227.500 Base-Backbone interact. energy: 1.232 local terms energy: -255.580780 where: bonds (distance) C4'-P energy: -49.480 bonds (distance) P-C4' energy: -50.765 flat angles C4'-P-C4' energy: -55.537 flat angles P-C4'-P energy: -44.583 tors. eta vs tors. theta energy: -55.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -714.319338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.319338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.319338 (E_RNA) where: Base-Base interactions energy: -481.434 where: short stacking energy: -227.514 Base-Backbone interact. energy: -0.206 local terms energy: -232.679247 where: bonds (distance) C4'-P energy: -46.505 bonds (distance) P-C4' energy: -42.012 flat angles C4'-P-C4' energy: -53.533 flat angles P-C4'-P energy: -36.556 tors. eta vs tors. theta energy: -54.073 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: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -582.282412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.282412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.282412 (E_RNA) where: Base-Base interactions energy: -354.727 where: short stacking energy: -172.500 Base-Backbone interact. energy: -0.582 local terms energy: -226.973052 where: bonds (distance) C4'-P energy: -48.761 bonds (distance) P-C4' energy: -51.238 flat angles C4'-P-C4' energy: -53.417 flat angles P-C4'-P energy: -38.143 tors. eta vs tors. theta energy: -35.414 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: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -623.056200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.056200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.056200 (E_RNA) where: Base-Base interactions energy: -399.181 where: short stacking energy: -175.228 Base-Backbone interact. energy: 0.572 local terms energy: -224.447334 where: bonds (distance) C4'-P energy: -49.910 bonds (distance) P-C4' energy: -45.519 flat angles C4'-P-C4' energy: -56.926 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -34.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -448.143858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.143858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.143858 (E_RNA) where: Base-Base interactions energy: -284.416 where: short stacking energy: -133.911 Base-Backbone interact. energy: -0.799 local terms energy: -162.929360 where: bonds (distance) C4'-P energy: -41.455 bonds (distance) P-C4' energy: -43.235 flat angles C4'-P-C4' energy: -41.782 flat angles P-C4'-P energy: -31.727 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1066.418023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.418023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.418023 (E_RNA) where: Base-Base interactions energy: -747.763 where: short stacking energy: -305.364 Base-Backbone interact. energy: -0.480 local terms energy: -318.174713 where: bonds (distance) C4'-P energy: -55.535 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -70.124 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -88.232 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: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -991.665533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.665533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.665533 (E_RNA) where: Base-Base interactions energy: -688.540 where: short stacking energy: -289.907 Base-Backbone interact. energy: -0.767 local terms energy: -302.358499 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -51.223 flat angles C4'-P-C4' energy: -63.203 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -85.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -996.179298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.179298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.179298 (E_RNA) where: Base-Base interactions energy: -705.111 where: short stacking energy: -272.387 Base-Backbone interact. energy: -1.551 local terms energy: -289.516838 where: bonds (distance) C4'-P energy: -56.396 bonds (distance) P-C4' energy: -56.296 flat angles C4'-P-C4' energy: -69.188 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -68.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -934.351017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.351017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.351017 (E_RNA) where: Base-Base interactions energy: -643.105 where: short stacking energy: -255.462 Base-Backbone interact. energy: -1.225 local terms energy: -290.021649 where: bonds (distance) C4'-P energy: -48.912 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -61.901 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -68.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -890.088738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.088738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.088738 (E_RNA) where: Base-Base interactions energy: -616.464 where: short stacking energy: -282.643 Base-Backbone interact. energy: -1.387 local terms energy: -272.237650 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -42.267 flat angles C4'-P-C4' energy: -60.379 flat angles P-C4'-P energy: -30.176 tors. eta vs tors. theta energy: -80.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -816.405474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.405474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.405474 (E_RNA) where: Base-Base interactions energy: -547.065 where: short stacking energy: -243.571 Base-Backbone interact. energy: -0.737 local terms energy: -268.603842 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -57.183 flat angles C4'-P-C4' energy: -60.203 flat angles P-C4'-P energy: -35.188 tors. eta vs tors. theta energy: -53.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -700.078701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.078701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.078701 (E_RNA) where: Base-Base interactions energy: -466.192 where: short stacking energy: -213.028 Base-Backbone interact. energy: -1.958 local terms energy: -231.928834 where: bonds (distance) C4'-P energy: -47.996 bonds (distance) P-C4' energy: -47.605 flat angles C4'-P-C4' energy: -50.090 flat angles P-C4'-P energy: -28.613 tors. eta vs tors. theta energy: -57.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -646.044641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.044641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.044641 (E_RNA) where: Base-Base interactions energy: -420.035 where: short stacking energy: -182.103 Base-Backbone interact. energy: -2.019 local terms energy: -223.990316 where: bonds (distance) C4'-P energy: -52.733 bonds (distance) P-C4' energy: -48.114 flat angles C4'-P-C4' energy: -49.643 flat angles P-C4'-P energy: -35.289 tors. eta vs tors. theta energy: -38.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -559.113577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.113577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.113577 (E_RNA) where: Base-Base interactions energy: -348.373 where: short stacking energy: -165.032 Base-Backbone interact. energy: -0.781 local terms energy: -209.959688 where: bonds (distance) C4'-P energy: -43.462 bonds (distance) P-C4' energy: -54.727 flat angles C4'-P-C4' energy: -46.772 flat angles P-C4'-P energy: -33.916 tors. eta vs tors. theta energy: -31.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -469.622382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.622382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.622382 (E_RNA) where: Base-Base interactions energy: -270.452 where: short stacking energy: -135.267 Base-Backbone interact. energy: -1.229 local terms energy: -197.941645 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -53.154 flat angles C4'-P-C4' energy: -45.433 flat angles P-C4'-P energy: -31.298 tors. eta vs tors. theta energy: -12.697 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: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1068.720026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.720026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.720026 (E_RNA) where: Base-Base interactions energy: -763.971 where: short stacking energy: -296.165 Base-Backbone interact. energy: -0.735 local terms energy: -304.014209 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -59.287 flat angles C4'-P-C4' energy: -65.984 flat angles P-C4'-P energy: -34.720 tors. eta vs tors. theta energy: -84.485 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: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1000.066833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.066833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.066833 (E_RNA) where: Base-Base interactions energy: -689.109 where: short stacking energy: -307.705 Base-Backbone interact. energy: -0.763 local terms energy: -310.194633 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -69.320 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: -89.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1012.544509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.544509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.544509 (E_RNA) where: Base-Base interactions energy: -719.664 where: short stacking energy: -289.966 Base-Backbone interact. energy: -0.473 local terms energy: -292.407199 where: bonds (distance) C4'-P energy: -62.919 bonds (distance) P-C4' energy: -44.862 flat angles C4'-P-C4' energy: -51.314 flat angles P-C4'-P energy: -48.166 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: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -952.311596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.311596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.311596 (E_RNA) where: Base-Base interactions energy: -666.058 where: short stacking energy: -270.766 Base-Backbone interact. energy: -0.705 local terms energy: -285.548262 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -49.718 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -38.569 tors. eta vs tors. theta energy: -75.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -877.372540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.372540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.372540 (E_RNA) where: Base-Base interactions energy: -599.942 where: short stacking energy: -264.207 Base-Backbone interact. energy: -1.257 local terms energy: -276.173794 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -48.508 flat angles C4'-P-C4' energy: -57.833 flat angles P-C4'-P energy: -46.498 tors. eta vs tors. theta energy: -68.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -789.880842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.880842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.880842 (E_RNA) where: Base-Base interactions energy: -563.716 where: short stacking energy: -225.418 Base-Backbone interact. energy: -1.501 local terms energy: -224.663754 where: bonds (distance) C4'-P energy: -50.123 bonds (distance) P-C4' energy: -42.712 flat angles C4'-P-C4' energy: -48.667 flat angles P-C4'-P energy: -26.716 tors. eta vs tors. theta energy: -56.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -732.198957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.198957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.198957 (E_RNA) where: Base-Base interactions energy: -484.312 where: short stacking energy: -234.372 Base-Backbone interact. energy: -1.081 local terms energy: -246.805681 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -43.843 flat angles C4'-P-C4' energy: -57.205 flat angles P-C4'-P energy: -31.415 tors. eta vs tors. theta energy: -63.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -627.884157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.884157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.884157 (E_RNA) where: Base-Base interactions energy: -425.330 where: short stacking energy: -187.016 Base-Backbone interact. energy: -0.277 local terms energy: -202.277053 where: bonds (distance) C4'-P energy: -47.534 bonds (distance) P-C4' energy: -41.885 flat angles C4'-P-C4' energy: -46.460 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -33.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -577.235410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.235410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.235410 (E_RNA) where: Base-Base interactions energy: -371.887 where: short stacking energy: -175.871 Base-Backbone interact. energy: -1.615 local terms energy: -203.732991 where: bonds (distance) C4'-P energy: -40.969 bonds (distance) P-C4' energy: -45.108 flat angles C4'-P-C4' energy: -60.763 flat angles P-C4'-P energy: -27.512 tors. eta vs tors. theta energy: -29.381 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: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -397.996038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.996038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.996038 (E_RNA) where: Base-Base interactions energy: -241.289 where: short stacking energy: -118.931 Base-Backbone interact. energy: 2.275 local terms energy: -158.982464 where: bonds (distance) C4'-P energy: -32.288 bonds (distance) P-C4' energy: -47.718 flat angles C4'-P-C4' energy: -43.626 flat angles P-C4'-P energy: -31.289 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1075.910279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.910279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.910279 (E_RNA) where: Base-Base interactions energy: -758.852 where: short stacking energy: -308.208 Base-Backbone interact. energy: -1.330 local terms energy: -315.728931 where: bonds (distance) C4'-P energy: -53.276 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -87.792 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: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1032.714890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.714890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.714890 (E_RNA) where: Base-Base interactions energy: -740.106 where: short stacking energy: -301.083 Base-Backbone interact. energy: 1.321 local terms energy: -293.929846 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -44.939 flat angles C4'-P-C4' energy: -59.837 flat angles P-C4'-P energy: -45.440 tors. eta vs tors. theta energy: -81.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -979.639384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.639384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.639384 (E_RNA) where: Base-Base interactions energy: -673.110 where: short stacking energy: -294.939 Base-Backbone interact. energy: -1.182 local terms energy: -305.347352 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -49.934 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -85.732 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: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -944.057386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.057386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.057386 (E_RNA) where: Base-Base interactions energy: -668.030 where: short stacking energy: -267.640 Base-Backbone interact. energy: -0.681 local terms energy: -275.346292 where: bonds (distance) C4'-P energy: -53.769 bonds (distance) P-C4' energy: -55.139 flat angles C4'-P-C4' energy: -51.811 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -72.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -876.383104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.383104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.383104 (E_RNA) where: Base-Base interactions energy: -599.851 where: short stacking energy: -262.597 Base-Backbone interact. energy: 0.483 local terms energy: -277.015703 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -59.549 flat angles P-C4'-P energy: -41.546 tors. eta vs tors. theta energy: -65.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -732.854970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.854970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.854970 (E_RNA) where: Base-Base interactions energy: -490.277 where: short stacking energy: -225.162 Base-Backbone interact. energy: 0.160 local terms energy: -242.737399 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -54.652 flat angles C4'-P-C4' energy: -48.246 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -53.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -764.830325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.830325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.830325 (E_RNA) where: Base-Base interactions energy: -530.719 where: short stacking energy: -231.598 Base-Backbone interact. energy: 2.442 local terms energy: -236.553482 where: bonds (distance) C4'-P energy: -49.201 bonds (distance) P-C4' energy: -42.235 flat angles C4'-P-C4' energy: -53.463 flat angles P-C4'-P energy: -33.644 tors. eta vs tors. theta energy: -58.011 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: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -587.143467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.143467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.143467 (E_RNA) where: Base-Base interactions energy: -369.630 where: short stacking energy: -177.356 Base-Backbone interact. energy: 0.759 local terms energy: -218.272833 where: bonds (distance) C4'-P energy: -57.114 bonds (distance) P-C4' energy: -46.397 flat angles C4'-P-C4' energy: -51.097 flat angles P-C4'-P energy: -30.053 tors. eta vs tors. theta energy: -33.611 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -592.145803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.145803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.145803 (E_RNA) where: Base-Base interactions energy: -381.406 where: short stacking energy: -170.913 Base-Backbone interact. energy: 1.763 local terms energy: -212.503573 where: bonds (distance) C4'-P energy: -53.764 bonds (distance) P-C4' energy: -53.300 flat angles C4'-P-C4' energy: -52.499 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: -17.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -392.581875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.581875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.581875 (E_RNA) where: Base-Base interactions energy: -229.496 where: short stacking energy: -106.408 Base-Backbone interact. energy: 0.745 local terms energy: -163.830876 where: bonds (distance) C4'-P energy: -45.971 bonds (distance) P-C4' energy: -55.549 flat angles C4'-P-C4' energy: -47.864 flat angles P-C4'-P energy: -19.586 tors. eta vs tors. theta energy: 5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1087.777411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.777411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.777411 (E_RNA) where: Base-Base interactions energy: -773.989 where: short stacking energy: -317.525 Base-Backbone interact. energy: -1.176 local terms energy: -312.612769 where: bonds (distance) C4'-P energy: -58.967 bonds (distance) P-C4' energy: -50.319 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -50.655 tors. eta vs tors. theta energy: -86.171 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: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1058.312771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.312771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.312771 (E_RNA) where: Base-Base interactions energy: -759.875 where: short stacking energy: -290.326 Base-Backbone interact. energy: 0.425 local terms energy: -298.862592 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -61.027 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -76.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -976.344937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.344937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.344937 (E_RNA) where: Base-Base interactions energy: -672.381 where: short stacking energy: -291.404 Base-Backbone interact. energy: -1.914 local terms energy: -302.049780 where: bonds (distance) C4'-P energy: -55.945 bonds (distance) P-C4' energy: -59.242 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -85.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -955.380814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.380814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.380814 (E_RNA) where: Base-Base interactions energy: -670.465 where: short stacking energy: -274.951 Base-Backbone interact. energy: -2.124 local terms energy: -282.791848 where: bonds (distance) C4'-P energy: -47.920 bonds (distance) P-C4' energy: -59.919 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -30.242 tors. eta vs tors. theta energy: -81.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -887.479850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.479850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.479850 (E_RNA) where: Base-Base interactions energy: -623.794 where: short stacking energy: -270.540 Base-Backbone interact. energy: 3.604 local terms energy: -267.289857 where: bonds (distance) C4'-P energy: -48.192 bonds (distance) P-C4' energy: -56.230 flat angles C4'-P-C4' energy: -62.226 flat angles P-C4'-P energy: -35.534 tors. eta vs tors. theta energy: -65.108 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: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -757.861294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.861294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.861294 (E_RNA) where: Base-Base interactions energy: -491.167 where: short stacking energy: -212.968 Base-Backbone interact. energy: -0.004 local terms energy: -266.689923 where: bonds (distance) C4'-P energy: -53.037 bonds (distance) P-C4' energy: -57.237 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: -51.440 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: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -757.186904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.186904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.186904 (E_RNA) where: Base-Base interactions energy: -509.697 where: short stacking energy: -214.492 Base-Backbone interact. energy: -0.871 local terms energy: -246.618839 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -52.409 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: -47.577 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -595.124803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.124803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.124803 (E_RNA) where: Base-Base interactions energy: -355.928 where: short stacking energy: -152.524 Base-Backbone interact. energy: -2.198 local terms energy: -236.999031 where: bonds (distance) C4'-P energy: -52.618 bonds (distance) P-C4' energy: -53.602 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -36.468 tors. eta vs tors. theta energy: -31.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -586.568616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.568616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.568616 (E_RNA) where: Base-Base interactions energy: -366.941 where: short stacking energy: -162.946 Base-Backbone interact. energy: 0.020 local terms energy: -219.647179 where: bonds (distance) C4'-P energy: -44.515 bonds (distance) P-C4' energy: -49.116 flat angles C4'-P-C4' energy: -54.016 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -31.184 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: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -399.558819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.558819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.558819 (E_RNA) where: Base-Base interactions energy: -225.689 where: short stacking energy: -118.673 Base-Backbone interact. energy: 2.576 local terms energy: -176.445343 where: bonds (distance) C4'-P energy: -42.350 bonds (distance) P-C4' energy: -47.811 flat angles C4'-P-C4' energy: -35.217 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1070.935011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.935011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.935011 (E_RNA) where: Base-Base interactions energy: -756.319 where: short stacking energy: -305.064 Base-Backbone interact. energy: 0.126 local terms energy: -314.741477 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -59.814 flat angles C4'-P-C4' energy: -66.863 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -87.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1048.780329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.780329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.780329 (E_RNA) where: Base-Base interactions energy: -748.746 where: short stacking energy: -277.748 Base-Backbone interact. energy: -3.074 local terms energy: -296.960545 where: bonds (distance) C4'-P energy: -57.430 bonds (distance) P-C4' energy: -52.658 flat angles C4'-P-C4' energy: -66.904 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -80.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -978.206531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.206531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.206531 (E_RNA) where: Base-Base interactions energy: -668.439 where: short stacking energy: -293.300 Base-Backbone interact. energy: 0.814 local terms energy: -310.581634 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -53.813 flat angles C4'-P-C4' energy: -68.707 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -87.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -925.487878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.487878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.487878 (E_RNA) where: Base-Base interactions energy: -640.285 where: short stacking energy: -252.243 Base-Backbone interact. energy: -1.666 local terms energy: -283.537283 where: bonds (distance) C4'-P energy: -52.952 bonds (distance) P-C4' energy: -57.316 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -39.508 tors. eta vs tors. theta energy: -69.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -876.705360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.705360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.705360 (E_RNA) where: Base-Base interactions energy: -597.391 where: short stacking energy: -253.416 Base-Backbone interact. energy: -1.800 local terms energy: -277.515207 where: bonds (distance) C4'-P energy: -56.274 bonds (distance) P-C4' energy: -41.165 flat angles C4'-P-C4' energy: -64.432 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -68.782 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: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -761.950826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.950826 (E_RNA) where: Base-Base interactions energy: -517.905 where: short stacking energy: -227.919 Base-Backbone interact. energy: -1.558 local terms energy: -242.488271 where: bonds (distance) C4'-P energy: -43.731 bonds (distance) P-C4' energy: -45.473 flat angles C4'-P-C4' energy: -60.710 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -55.699 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: 361 Temperature: 1.200000 Total energy: -705.574067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.574067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.574067 (E_RNA) where: Base-Base interactions energy: -472.196 where: short stacking energy: -204.643 Base-Backbone interact. energy: -0.928 local terms energy: -232.450598 where: bonds (distance) C4'-P energy: -51.848 bonds (distance) P-C4' energy: -50.072 flat angles C4'-P-C4' energy: -43.866 flat angles P-C4'-P energy: -34.749 tors. eta vs tors. theta energy: -51.915 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: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -635.134447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.134447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.134447 (E_RNA) where: Base-Base interactions energy: -415.953 where: short stacking energy: -202.670 Base-Backbone interact. energy: -0.790 local terms energy: -218.391715 where: bonds (distance) C4'-P energy: -45.279 bonds (distance) P-C4' energy: -35.520 flat angles C4'-P-C4' energy: -50.787 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -48.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -546.277874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.277874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.277874 (E_RNA) where: Base-Base interactions energy: -377.052 where: short stacking energy: -169.523 Base-Backbone interact. energy: -1.127 local terms energy: -168.098845 where: bonds (distance) C4'-P energy: -39.147 bonds (distance) P-C4' energy: -31.483 flat angles C4'-P-C4' energy: -47.508 flat angles P-C4'-P energy: -19.470 tors. eta vs tors. theta energy: -30.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -414.833788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.833788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.833788 (E_RNA) where: Base-Base interactions energy: -241.670 where: short stacking energy: -127.530 Base-Backbone interact. energy: -0.474 local terms energy: -172.689704 where: bonds (distance) C4'-P energy: -54.542 bonds (distance) P-C4' energy: -45.523 flat angles C4'-P-C4' energy: -37.139 flat angles P-C4'-P energy: -24.658 tors. eta vs tors. theta energy: -10.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1081.556208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.556208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.556208 (E_RNA) where: Base-Base interactions energy: -757.803 where: short stacking energy: -320.735 Base-Backbone interact. energy: -1.236 local terms energy: -322.516957 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -60.620 flat angles C4'-P-C4' energy: -62.985 flat angles P-C4'-P energy: -46.930 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: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1038.608968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.608968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.608968 (E_RNA) where: Base-Base interactions energy: -737.749 where: short stacking energy: -286.834 Base-Backbone interact. energy: -1.914 local terms energy: -298.945836 where: bonds (distance) C4'-P energy: -58.640 bonds (distance) P-C4' energy: -53.416 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -81.952 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: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -971.093371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.093371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.093371 (E_RNA) where: Base-Base interactions energy: -662.657 where: short stacking energy: -294.814 Base-Backbone interact. energy: -1.368 local terms energy: -307.068653 where: bonds (distance) C4'-P energy: -45.742 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -48.873 tors. eta vs tors. theta energy: -88.344 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: 362 Temperature: 1.050000 Total energy: -947.771396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.771396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.771396 (E_RNA) where: Base-Base interactions energy: -654.922 where: short stacking energy: -275.484 Base-Backbone interact. energy: -0.686 local terms energy: -292.164058 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -45.294 flat angles C4'-P-C4' energy: -67.746 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -78.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -861.867744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.867744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.867744 (E_RNA) where: Base-Base interactions energy: -596.229 where: short stacking energy: -247.174 Base-Backbone interact. energy: -2.414 local terms energy: -263.225373 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -50.961 flat angles C4'-P-C4' energy: -60.026 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -64.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -802.527747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.527747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.527747 (E_RNA) where: Base-Base interactions energy: -542.928 where: short stacking energy: -238.598 Base-Backbone interact. energy: -1.078 local terms energy: -258.521979 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -48.915 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -27.015 tors. eta vs tors. theta energy: -60.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -712.982437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.982437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.982437 (E_RNA) where: Base-Base interactions energy: -479.417 where: short stacking energy: -204.688 Base-Backbone interact. energy: -0.405 local terms energy: -233.160707 where: bonds (distance) C4'-P energy: -58.108 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -47.249 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: -45.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -698.084925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.084925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.084925 (E_RNA) where: Base-Base interactions energy: -458.177 where: short stacking energy: -212.131 Base-Backbone interact. energy: 0.910 local terms energy: -240.818373 where: bonds (distance) C4'-P energy: -45.805 bonds (distance) P-C4' energy: -57.604 flat angles C4'-P-C4' energy: -60.111 flat angles P-C4'-P energy: -34.624 tors. eta vs tors. theta energy: -42.674 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: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -537.733055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.733055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.733055 (E_RNA) where: Base-Base interactions energy: -358.248 where: short stacking energy: -159.641 Base-Backbone interact. energy: -1.871 local terms energy: -177.613736 where: bonds (distance) C4'-P energy: -37.908 bonds (distance) P-C4' energy: -40.795 flat angles C4'-P-C4' energy: -37.403 flat angles P-C4'-P energy: -33.867 tors. eta vs tors. theta energy: -27.640 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: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -439.922224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.922224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.922224 (E_RNA) where: Base-Base interactions energy: -257.659 where: short stacking energy: -124.462 Base-Backbone interact. energy: 2.980 local terms energy: -185.243523 where: bonds (distance) C4'-P energy: -47.728 bonds (distance) P-C4' energy: -47.013 flat angles C4'-P-C4' energy: -49.769 flat angles P-C4'-P energy: -19.839 tors. eta vs tors. theta energy: -20.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1069.878421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.878421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.878421 (E_RNA) where: Base-Base interactions energy: -749.201 where: short stacking energy: -296.503 Base-Backbone interact. energy: -1.559 local terms energy: -319.118543 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -63.533 flat angles P-C4'-P energy: -45.130 tors. eta vs tors. theta energy: -89.238 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: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1030.599949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.599949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.599949 (E_RNA) where: Base-Base interactions energy: -727.860 where: short stacking energy: -286.757 Base-Backbone interact. energy: -1.279 local terms energy: -301.461301 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -55.325 flat angles C4'-P-C4' energy: -65.429 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -80.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -965.767710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.767710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.767710 (E_RNA) where: Base-Base interactions energy: -666.469 where: short stacking energy: -283.256 Base-Backbone interact. energy: -1.615 local terms energy: -297.684325 where: bonds (distance) C4'-P energy: -52.892 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -62.715 flat angles P-C4'-P energy: -38.923 tors. eta vs tors. theta energy: -80.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -945.685048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.685048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.685048 (E_RNA) where: Base-Base interactions energy: -668.026 where: short stacking energy: -290.135 Base-Backbone interact. energy: 2.959 local terms energy: -280.617914 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -47.852 flat angles C4'-P-C4' energy: -61.781 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -78.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -854.340585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.340585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.340585 (E_RNA) where: Base-Base interactions energy: -587.328 where: short stacking energy: -262.407 Base-Backbone interact. energy: -0.630 local terms energy: -266.382002 where: bonds (distance) C4'-P energy: -45.366 bonds (distance) P-C4' energy: -54.122 flat angles C4'-P-C4' energy: -57.056 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -68.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -762.344109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.344109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.344109 (E_RNA) where: Base-Base interactions energy: -516.755 where: short stacking energy: -220.500 Base-Backbone interact. energy: -0.440 local terms energy: -245.149408 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -52.212 flat angles C4'-P-C4' energy: -52.978 flat angles P-C4'-P energy: -36.418 tors. eta vs tors. theta energy: -53.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -687.087506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.087506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.087506 (E_RNA) where: Base-Base interactions energy: -463.808 where: short stacking energy: -211.936 Base-Backbone interact. energy: -4.271 local terms energy: -219.009294 where: bonds (distance) C4'-P energy: -42.073 bonds (distance) P-C4' energy: -46.915 flat angles C4'-P-C4' energy: -56.835 flat angles P-C4'-P energy: -30.099 tors. eta vs tors. theta energy: -43.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -683.724179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.724179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.724179 (E_RNA) where: Base-Base interactions energy: -443.014 where: short stacking energy: -194.629 Base-Backbone interact. energy: -1.393 local terms energy: -239.316601 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -55.468 flat angles P-C4'-P energy: -35.681 tors. eta vs tors. theta energy: -36.940 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: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -567.367032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.367032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.367032 (E_RNA) where: Base-Base interactions energy: -374.150 where: short stacking energy: -157.185 Base-Backbone interact. energy: -1.264 local terms energy: -191.952685 where: bonds (distance) C4'-P energy: -45.833 bonds (distance) P-C4' energy: -47.584 flat angles C4'-P-C4' energy: -48.704 flat angles P-C4'-P energy: -23.495 tors. eta vs tors. theta energy: -26.336 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: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -425.947020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.947020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.947020 (E_RNA) where: Base-Base interactions energy: -241.559 where: short stacking energy: -124.584 Base-Backbone interact. energy: 2.904 local terms energy: -187.292079 where: bonds (distance) C4'-P energy: -44.993 bonds (distance) P-C4' energy: -50.128 flat angles C4'-P-C4' energy: -36.742 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -12.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1052.434833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.434833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.434833 (E_RNA) where: Base-Base interactions energy: -738.625 where: short stacking energy: -297.545 Base-Backbone interact. energy: 0.583 local terms energy: -314.392941 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -70.973 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -78.231 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: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1063.000017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.000017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.000017 (E_RNA) where: Base-Base interactions energy: -748.849 where: short stacking energy: -308.401 Base-Backbone interact. energy: -1.261 local terms energy: -312.890139 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -65.053 flat angles C4'-P-C4' energy: -63.624 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -89.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -983.740834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.740834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.740834 (E_RNA) where: Base-Base interactions energy: -683.815 where: short stacking energy: -284.753 Base-Backbone interact. energy: -1.231 local terms energy: -298.695439 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -60.319 flat angles C4'-P-C4' energy: -59.827 flat angles P-C4'-P energy: -38.469 tors. eta vs tors. theta energy: -83.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -932.490829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.490829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.490829 (E_RNA) where: Base-Base interactions energy: -662.643 where: short stacking energy: -268.501 Base-Backbone interact. energy: -1.955 local terms energy: -267.892943 where: bonds (distance) C4'-P energy: -48.046 bonds (distance) P-C4' energy: -55.162 flat angles C4'-P-C4' energy: -63.352 flat angles P-C4'-P energy: -31.942 tors. eta vs tors. theta energy: -69.391 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -852.165851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.165851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.165851 (E_RNA) where: Base-Base interactions energy: -600.563 where: short stacking energy: -250.380 Base-Backbone interact. energy: -2.792 local terms energy: -248.810955 where: bonds (distance) C4'-P energy: -45.257 bonds (distance) P-C4' energy: -51.714 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -64.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -805.431513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.431513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.431513 (E_RNA) where: Base-Base interactions energy: -561.918 where: short stacking energy: -235.065 Base-Backbone interact. energy: 1.464 local terms energy: -244.976949 where: bonds (distance) C4'-P energy: -56.371 bonds (distance) P-C4' energy: -35.910 flat angles C4'-P-C4' energy: -60.344 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -56.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -691.838074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.838074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.838074 (E_RNA) where: Base-Base interactions energy: -461.328 where: short stacking energy: -210.256 Base-Backbone interact. energy: -1.738 local terms energy: -228.771987 where: bonds (distance) C4'-P energy: -48.897 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -55.144 flat angles P-C4'-P energy: -31.474 tors. eta vs tors. theta energy: -37.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -663.386045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.386045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.386045 (E_RNA) where: Base-Base interactions energy: -439.137 where: short stacking energy: -202.165 Base-Backbone interact. energy: 0.338 local terms energy: -224.586363 where: bonds (distance) C4'-P energy: -56.208 bonds (distance) P-C4' energy: -48.087 flat angles C4'-P-C4' energy: -44.146 flat angles P-C4'-P energy: -38.443 tors. eta vs tors. theta energy: -37.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -533.541239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.541239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.541239 (E_RNA) where: Base-Base interactions energy: -315.236 where: short stacking energy: -166.922 Base-Backbone interact. energy: -1.159 local terms energy: -217.146083 where: bonds (distance) C4'-P energy: -45.552 bonds (distance) P-C4' energy: -51.911 flat angles C4'-P-C4' energy: -50.037 flat angles P-C4'-P energy: -35.882 tors. eta vs tors. theta energy: -33.764 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: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -443.381312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.381312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.381312 (E_RNA) where: Base-Base interactions energy: -240.060 where: short stacking energy: -108.783 Base-Backbone interact. energy: 0.714 local terms energy: -204.035262 where: bonds (distance) C4'-P energy: -51.910 bonds (distance) P-C4' energy: -52.032 flat angles C4'-P-C4' energy: -51.583 flat angles P-C4'-P energy: -33.639 tors. eta vs tors. theta energy: -14.871 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: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1062.084841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.084841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.084841 (E_RNA) where: Base-Base interactions energy: -743.870 where: short stacking energy: -298.760 Base-Backbone interact. energy: -2.321 local terms energy: -315.893816 where: bonds (distance) C4'-P energy: -61.719 bonds (distance) P-C4' energy: -52.079 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -53.066 tors. eta vs tors. theta energy: -85.120 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: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1051.239264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.239264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.239264 (E_RNA) where: Base-Base interactions energy: -740.699 where: short stacking energy: -303.736 Base-Backbone interact. energy: -2.263 local terms energy: -308.277398 where: bonds (distance) C4'-P energy: -60.180 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -65.403 flat angles P-C4'-P energy: -41.135 tors. eta vs tors. theta energy: -83.585 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: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -979.159789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.159789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.159789 (E_RNA) where: Base-Base interactions energy: -679.613 where: short stacking energy: -266.368 Base-Backbone interact. energy: -0.782 local terms energy: -298.765494 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -63.764 flat angles C4'-P-C4' energy: -61.732 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -72.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -935.402073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.402073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.402073 (E_RNA) where: Base-Base interactions energy: -640.953 where: short stacking energy: -269.106 Base-Backbone interact. energy: -1.429 local terms energy: -293.019821 where: bonds (distance) C4'-P energy: -57.371 bonds (distance) P-C4' energy: -53.604 flat angles C4'-P-C4' energy: -63.387 flat angles P-C4'-P energy: -39.330 tors. eta vs tors. theta energy: -79.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -870.717238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.717238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.717238 (E_RNA) where: Base-Base interactions energy: -614.655 where: short stacking energy: -264.638 Base-Backbone interact. energy: -1.482 local terms energy: -254.580861 where: bonds (distance) C4'-P energy: -47.601 bonds (distance) P-C4' energy: -50.969 flat angles C4'-P-C4' energy: -58.025 flat angles P-C4'-P energy: -29.723 tors. eta vs tors. theta energy: -68.264 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: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -813.240652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.240652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.240652 (E_RNA) where: Base-Base interactions energy: -557.922 where: short stacking energy: -230.791 Base-Backbone interact. energy: 1.866 local terms energy: -257.185322 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -53.977 flat angles C4'-P-C4' energy: -54.570 flat angles P-C4'-P energy: -32.836 tors. eta vs tors. theta energy: -56.286 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -676.466006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.466006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.466006 (E_RNA) where: Base-Base interactions energy: -438.461 where: short stacking energy: -193.814 Base-Backbone interact. energy: -1.854 local terms energy: -236.150661 where: bonds (distance) C4'-P energy: -52.332 bonds (distance) P-C4' energy: -51.438 flat angles C4'-P-C4' energy: -51.461 flat angles P-C4'-P energy: -32.650 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: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -614.545985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.545985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.545985 (E_RNA) where: Base-Base interactions energy: -387.901 where: short stacking energy: -177.645 Base-Backbone interact. energy: 0.376 local terms energy: -227.021144 where: bonds (distance) C4'-P energy: -48.714 bonds (distance) P-C4' energy: -52.724 flat angles C4'-P-C4' energy: -58.248 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -37.491 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: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -489.440772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.440772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.440772 (E_RNA) where: Base-Base interactions energy: -295.978 where: short stacking energy: -141.039 Base-Backbone interact. energy: -0.985 local terms energy: -192.478058 where: bonds (distance) C4'-P energy: -42.187 bonds (distance) P-C4' energy: -39.541 flat angles C4'-P-C4' energy: -46.378 flat angles P-C4'-P energy: -32.695 tors. eta vs tors. theta energy: -31.676 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: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -398.210955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.210955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.210955 (E_RNA) where: Base-Base interactions energy: -244.368 where: short stacking energy: -123.625 Base-Backbone interact. energy: -0.925 local terms energy: -152.917891 where: bonds (distance) C4'-P energy: -41.727 bonds (distance) P-C4' energy: -38.671 flat angles C4'-P-C4' energy: -33.302 flat angles P-C4'-P energy: -22.520 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1078.080159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.080159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.080159 (E_RNA) where: Base-Base interactions energy: -775.477 where: short stacking energy: -302.877 Base-Backbone interact. energy: -0.890 local terms energy: -301.713768 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -64.187 flat angles P-C4'-P energy: -38.828 tors. eta vs tors. theta energy: -87.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1034.031860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.031860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.031860 (E_RNA) where: Base-Base interactions energy: -739.152 where: short stacking energy: -300.340 Base-Backbone interact. energy: -0.325 local terms energy: -294.554991 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -60.302 flat angles C4'-P-C4' energy: -59.529 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -79.522 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: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -956.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.577248 (E_RNA) where: Base-Base interactions energy: -664.314 where: short stacking energy: -286.702 Base-Backbone interact. energy: -2.889 local terms energy: -289.373971 where: bonds (distance) C4'-P energy: -49.498 bonds (distance) P-C4' energy: -53.237 flat angles C4'-P-C4' energy: -64.565 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: -79.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -952.583294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.583294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.583294 (E_RNA) where: Base-Base interactions energy: -670.826 where: short stacking energy: -280.960 Base-Backbone interact. energy: -1.043 local terms energy: -280.714575 where: bonds (distance) C4'-P energy: -61.670 bonds (distance) P-C4' energy: -54.056 flat angles C4'-P-C4' energy: -48.024 flat angles P-C4'-P energy: -41.041 tors. eta vs tors. theta energy: -75.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -888.570262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.570262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.570262 (E_RNA) where: Base-Base interactions energy: -619.383 where: short stacking energy: -252.861 Base-Backbone interact. energy: 0.046 local terms energy: -269.233007 where: bonds (distance) C4'-P energy: -49.857 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -55.579 flat angles P-C4'-P energy: -38.042 tors. eta vs tors. theta energy: -68.342 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: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -849.310922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.310922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.310922 (E_RNA) where: Base-Base interactions energy: -584.130 where: short stacking energy: -244.710 Base-Backbone interact. energy: -0.545 local terms energy: -264.636270 where: bonds (distance) C4'-P energy: -42.548 bonds (distance) P-C4' energy: -56.584 flat angles C4'-P-C4' energy: -66.279 flat angles P-C4'-P energy: -34.784 tors. eta vs tors. theta energy: -64.441 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -685.079156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.079156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.079156 (E_RNA) where: Base-Base interactions energy: -426.166 where: short stacking energy: -200.912 Base-Backbone interact. energy: -1.439 local terms energy: -257.473954 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -55.854 flat angles P-C4'-P energy: -41.881 tors. eta vs tors. theta energy: -47.918 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: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -636.047374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.047374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.047374 (E_RNA) where: Base-Base interactions energy: -407.277 where: short stacking energy: -194.674 Base-Backbone interact. energy: -0.910 local terms energy: -227.860325 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -35.733 flat angles C4'-P-C4' energy: -50.363 flat angles P-C4'-P energy: -36.152 tors. eta vs tors. theta energy: -47.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -494.447144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.447144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.447144 (E_RNA) where: Base-Base interactions energy: -302.129 where: short stacking energy: -137.137 Base-Backbone interact. energy: 0.647 local terms energy: -192.964844 where: bonds (distance) C4'-P energy: -45.123 bonds (distance) P-C4' energy: -51.072 flat angles C4'-P-C4' energy: -46.647 flat angles P-C4'-P energy: -25.383 tors. eta vs tors. theta energy: -24.741 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: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -426.900799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.900799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.900799 (E_RNA) where: Base-Base interactions energy: -259.907 where: short stacking energy: -129.949 Base-Backbone interact. energy: -1.852 local terms energy: -165.141767 where: bonds (distance) C4'-P energy: -44.219 bonds (distance) P-C4' energy: -45.814 flat angles C4'-P-C4' energy: -34.093 flat angles P-C4'-P energy: -19.373 tors. eta vs tors. theta energy: -21.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1061.716433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.716433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.716433 (E_RNA) where: Base-Base interactions energy: -752.945 where: short stacking energy: -313.752 Base-Backbone interact. energy: -1.096 local terms energy: -307.675212 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -60.638 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -33.937 tors. eta vs tors. theta energy: -88.200 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: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1016.309719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.309719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.309719 (E_RNA) where: Base-Base interactions energy: -717.379 where: short stacking energy: -277.167 Base-Backbone interact. energy: 0.653 local terms energy: -299.582867 where: bonds (distance) C4'-P energy: -58.217 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -62.857 flat angles P-C4'-P energy: -42.189 tors. eta vs tors. theta energy: -74.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -951.475053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.475053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.475053 (E_RNA) where: Base-Base interactions energy: -681.425 where: short stacking energy: -291.324 Base-Backbone interact. energy: -0.605 local terms energy: -269.444736 where: bonds (distance) C4'-P energy: -44.210 bonds (distance) P-C4' energy: -47.107 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -29.393 tors. eta vs tors. theta energy: -79.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -947.248752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.248752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.248752 (E_RNA) where: Base-Base interactions energy: -667.057 where: short stacking energy: -265.700 Base-Backbone interact. energy: 1.168 local terms energy: -281.359847 where: bonds (distance) C4'-P energy: -45.394 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -60.296 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -73.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -911.277792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.277792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.277792 (E_RNA) where: Base-Base interactions energy: -646.000 where: short stacking energy: -276.286 Base-Backbone interact. energy: -1.208 local terms energy: -264.069402 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -47.922 flat angles P-C4'-P energy: -37.107 tors. eta vs tors. theta energy: -70.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -865.854726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.854726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.854726 (E_RNA) where: Base-Base interactions energy: -604.720 where: short stacking energy: -260.742 Base-Backbone interact. energy: -2.534 local terms energy: -258.600091 where: bonds (distance) C4'-P energy: -54.490 bonds (distance) P-C4' energy: -51.240 flat angles C4'-P-C4' energy: -59.828 flat angles P-C4'-P energy: -31.302 tors. eta vs tors. theta energy: -61.740 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: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -697.359083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.359083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.359083 (E_RNA) where: Base-Base interactions energy: -471.505 where: short stacking energy: -213.580 Base-Backbone interact. energy: 0.604 local terms energy: -226.458150 where: bonds (distance) C4'-P energy: -40.035 bonds (distance) P-C4' energy: -48.527 flat angles C4'-P-C4' energy: -54.448 flat angles P-C4'-P energy: -31.009 tors. eta vs tors. theta energy: -52.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -644.872365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.872365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.872365 (E_RNA) where: Base-Base interactions energy: -428.920 where: short stacking energy: -186.181 Base-Backbone interact. energy: 8.901 local terms energy: -224.853030 where: bonds (distance) C4'-P energy: -44.094 bonds (distance) P-C4' energy: -56.136 flat angles C4'-P-C4' energy: -49.951 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: -42.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -523.846425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.846425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.846425 (E_RNA) where: Base-Base interactions energy: -310.657 where: short stacking energy: -154.152 Base-Backbone interact. energy: -1.857 local terms energy: -211.332783 where: bonds (distance) C4'-P energy: -45.947 bonds (distance) P-C4' energy: -55.521 flat angles C4'-P-C4' energy: -40.088 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -31.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -435.690452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.690452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.690452 (E_RNA) where: Base-Base interactions energy: -241.810 where: short stacking energy: -131.902 Base-Backbone interact. energy: -0.420 local terms energy: -193.460785 where: bonds (distance) C4'-P energy: -46.162 bonds (distance) P-C4' energy: -53.829 flat angles C4'-P-C4' energy: -45.864 flat angles P-C4'-P energy: -31.743 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1042.665093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.665093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.665093 (E_RNA) where: Base-Base interactions energy: -735.076 where: short stacking energy: -285.420 Base-Backbone interact. energy: -0.952 local terms energy: -306.637141 where: bonds (distance) C4'-P energy: -50.754 bonds (distance) P-C4' energy: -69.751 flat angles C4'-P-C4' energy: -70.431 flat angles P-C4'-P energy: -36.371 tors. eta vs tors. theta energy: -79.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1067.064028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.064028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.064028 (E_RNA) where: Base-Base interactions energy: -749.416 where: short stacking energy: -291.300 Base-Backbone interact. energy: -1.816 local terms energy: -315.831450 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -57.134 flat angles C4'-P-C4' energy: -66.606 flat angles P-C4'-P energy: -43.517 tors. eta vs tors. theta energy: -87.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -988.863055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.863055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.863055 (E_RNA) where: Base-Base interactions energy: -699.780 where: short stacking energy: -290.390 Base-Backbone interact. energy: 0.401 local terms energy: -289.483251 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -51.911 flat angles C4'-P-C4' energy: -60.485 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: -80.484 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: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -919.400818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.400818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.400818 (E_RNA) where: Base-Base interactions energy: -633.491 where: short stacking energy: -281.486 Base-Backbone interact. energy: -1.642 local terms energy: -284.267752 where: bonds (distance) C4'-P energy: -58.584 bonds (distance) P-C4' energy: -52.471 flat angles C4'-P-C4' energy: -62.725 flat angles P-C4'-P energy: -33.193 tors. eta vs tors. theta energy: -77.295 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: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -880.739796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.739796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.739796 (E_RNA) where: Base-Base interactions energy: -618.542 where: short stacking energy: -285.535 Base-Backbone interact. energy: -0.743 local terms energy: -261.455573 where: bonds (distance) C4'-P energy: -53.849 bonds (distance) P-C4' energy: -45.045 flat angles C4'-P-C4' energy: -53.468 flat angles P-C4'-P energy: -34.986 tors. eta vs tors. theta energy: -74.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -876.657259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.657259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.657259 (E_RNA) where: Base-Base interactions energy: -622.516 where: short stacking energy: -259.851 Base-Backbone interact. energy: -0.380 local terms energy: -253.761534 where: bonds (distance) C4'-P energy: -40.974 bonds (distance) P-C4' energy: -54.200 flat angles C4'-P-C4' energy: -55.464 flat angles P-C4'-P energy: -40.180 tors. eta vs tors. theta energy: -62.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -705.339321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.339321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.339321 (E_RNA) where: Base-Base interactions energy: -473.679 where: short stacking energy: -209.739 Base-Backbone interact. energy: 0.223 local terms energy: -231.882918 where: bonds (distance) C4'-P energy: -53.429 bonds (distance) P-C4' energy: -37.049 flat angles C4'-P-C4' energy: -52.759 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -46.547 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -574.316141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.316141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.316141 (E_RNA) where: Base-Base interactions energy: -386.010 where: short stacking energy: -174.286 Base-Backbone interact. energy: -0.804 local terms energy: -187.501712 where: bonds (distance) C4'-P energy: -45.547 bonds (distance) P-C4' energy: -49.558 flat angles C4'-P-C4' energy: -44.287 flat angles P-C4'-P energy: -12.849 tors. eta vs tors. theta energy: -35.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -531.852669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.852669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.852669 (E_RNA) where: Base-Base interactions energy: -333.799 where: short stacking energy: -161.049 Base-Backbone interact. energy: 0.647 local terms energy: -198.700094 where: bonds (distance) C4'-P energy: -43.064 bonds (distance) P-C4' energy: -37.589 flat angles C4'-P-C4' energy: -49.370 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -33.448 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: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -460.825209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.825209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.825209 (E_RNA) where: Base-Base interactions energy: -271.921 where: short stacking energy: -138.543 Base-Backbone interact. energy: 1.772 local terms energy: -190.676416 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -46.478 flat angles C4'-P-C4' energy: -47.031 flat angles P-C4'-P energy: -22.548 tors. eta vs tors. theta energy: -22.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1041.417047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.417047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.417047 (E_RNA) where: Base-Base interactions energy: -734.343 where: short stacking energy: -279.720 Base-Backbone interact. energy: -2.255 local terms energy: -304.818759 where: bonds (distance) C4'-P energy: -57.961 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -61.593 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -83.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1055.870964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.870964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.870964 (E_RNA) where: Base-Base interactions energy: -757.079 where: short stacking energy: -283.471 Base-Backbone interact. energy: -0.482 local terms energy: -298.310582 where: bonds (distance) C4'-P energy: -47.160 bonds (distance) P-C4' energy: -57.250 flat angles C4'-P-C4' energy: -63.820 flat angles P-C4'-P energy: -42.492 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -987.091878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.091878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.091878 (E_RNA) where: Base-Base interactions energy: -684.421 where: short stacking energy: -303.359 Base-Backbone interact. energy: 0.248 local terms energy: -302.919461 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -49.758 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: -88.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -933.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.070057 (E_RNA) where: Base-Base interactions energy: -649.503 where: short stacking energy: -269.795 Base-Backbone interact. energy: -1.018 local terms energy: -282.549147 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -58.087 flat angles C4'-P-C4' energy: -60.362 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -71.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -871.073762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.073762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.073762 (E_RNA) where: Base-Base interactions energy: -612.432 where: short stacking energy: -247.883 Base-Backbone interact. energy: -0.425 local terms energy: -258.216186 where: bonds (distance) C4'-P energy: -49.031 bonds (distance) P-C4' energy: -49.249 flat angles C4'-P-C4' energy: -55.067 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -66.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -823.159705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.159705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.159705 (E_RNA) where: Base-Base interactions energy: -569.063 where: short stacking energy: -239.045 Base-Backbone interact. energy: -0.234 local terms energy: -253.862282 where: bonds (distance) C4'-P energy: -49.227 bonds (distance) P-C4' energy: -47.271 flat angles C4'-P-C4' energy: -58.785 flat angles P-C4'-P energy: -34.128 tors. eta vs tors. theta energy: -64.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -701.106267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.106267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.106267 (E_RNA) where: Base-Base interactions energy: -471.806 where: short stacking energy: -228.055 Base-Backbone interact. energy: 1.073 local terms energy: -230.374209 where: bonds (distance) C4'-P energy: -41.143 bonds (distance) P-C4' energy: -54.108 flat angles C4'-P-C4' energy: -58.237 flat angles P-C4'-P energy: -27.913 tors. eta vs tors. theta energy: -48.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -635.698012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.698012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.698012 (E_RNA) where: Base-Base interactions energy: -405.294 where: short stacking energy: -186.518 Base-Backbone interact. energy: -1.812 local terms energy: -228.592620 where: bonds (distance) C4'-P energy: -42.923 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -53.302 flat angles P-C4'-P energy: -37.142 tors. eta vs tors. theta energy: -38.401 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: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -540.022190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.022190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.022190 (E_RNA) where: Base-Base interactions energy: -308.543 where: short stacking energy: -139.291 Base-Backbone interact. energy: -1.040 local terms energy: -230.439308 where: bonds (distance) C4'-P energy: -54.496 bonds (distance) P-C4' energy: -56.707 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -27.083 tors. eta vs tors. theta energy: -31.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -386.300897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.300897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.300897 (E_RNA) where: Base-Base interactions energy: -203.332 where: short stacking energy: -110.295 Base-Backbone interact. energy: 3.042 local terms energy: -186.011136 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -51.748 flat angles C4'-P-C4' energy: -48.743 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: 1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1069.988085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.988085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.988085 (E_RNA) where: Base-Base interactions energy: -766.336 where: short stacking energy: -305.619 Base-Backbone interact. energy: 0.589 local terms energy: -304.241343 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -54.860 flat angles C4'-P-C4' energy: -60.688 flat angles P-C4'-P energy: -45.788 tors. eta vs tors. theta energy: -84.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1048.354772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.354772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.354772 (E_RNA) where: Base-Base interactions energy: -744.991 where: short stacking energy: -297.747 Base-Backbone interact. energy: -0.379 local terms energy: -302.985067 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -53.026 flat angles C4'-P-C4' energy: -64.792 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -79.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -983.117032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.117032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.117032 (E_RNA) where: Base-Base interactions energy: -696.110 where: short stacking energy: -292.346 Base-Backbone interact. energy: -1.429 local terms energy: -285.578167 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -39.272 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: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -946.455968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.455968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.455968 (E_RNA) where: Base-Base interactions energy: -666.460 where: short stacking energy: -271.404 Base-Backbone interact. energy: 0.584 local terms energy: -280.580258 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -54.803 flat angles P-C4'-P energy: -39.891 tors. eta vs tors. theta energy: -76.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -874.064088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.064088 (E_RNA) where: Base-Base interactions energy: -619.064 where: short stacking energy: -270.195 Base-Backbone interact. energy: -0.743 local terms energy: -254.256647 where: bonds (distance) C4'-P energy: -42.666 bonds (distance) P-C4' energy: -49.705 flat angles C4'-P-C4' energy: -47.646 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -74.100 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -860.849484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.849484 (E_RNA) where: Base-Base interactions energy: -595.419 where: short stacking energy: -253.387 Base-Backbone interact. energy: -0.186 local terms energy: -265.244089 where: bonds (distance) C4'-P energy: -45.193 bonds (distance) P-C4' energy: -56.543 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -36.509 tors. eta vs tors. theta energy: -64.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -702.343412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.343412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.343412 (E_RNA) where: Base-Base interactions energy: -482.985 where: short stacking energy: -206.938 Base-Backbone interact. energy: -0.812 local terms energy: -218.546659 where: bonds (distance) C4'-P energy: -46.229 bonds (distance) P-C4' energy: -43.956 flat angles C4'-P-C4' energy: -46.054 flat angles P-C4'-P energy: -30.513 tors. eta vs tors. theta energy: -51.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -670.590425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.590425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.590425 (E_RNA) where: Base-Base interactions energy: -443.875 where: short stacking energy: -193.667 Base-Backbone interact. energy: 0.776 local terms energy: -227.490835 where: bonds (distance) C4'-P energy: -52.233 bonds (distance) P-C4' energy: -47.364 flat angles C4'-P-C4' energy: -51.155 flat angles P-C4'-P energy: -31.735 tors. eta vs tors. theta energy: -45.005 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: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -535.183914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.183914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.183914 (E_RNA) where: Base-Base interactions energy: -332.839 where: short stacking energy: -156.151 Base-Backbone interact. energy: -0.515 local terms energy: -201.830406 where: bonds (distance) C4'-P energy: -49.145 bonds (distance) P-C4' energy: -44.363 flat angles C4'-P-C4' energy: -56.269 flat angles P-C4'-P energy: -19.344 tors. eta vs tors. theta energy: -32.710 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: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -394.743030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.743030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.743030 (E_RNA) where: Base-Base interactions energy: -219.145 where: short stacking energy: -111.431 Base-Backbone interact. energy: 0.186 local terms energy: -175.783609 where: bonds (distance) C4'-P energy: -52.269 bonds (distance) P-C4' energy: -53.665 flat angles C4'-P-C4' energy: -50.053 flat angles P-C4'-P energy: -23.203 tors. eta vs tors. theta energy: 3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1070.122470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.122470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.122470 (E_RNA) where: Base-Base interactions energy: -750.322 where: short stacking energy: -309.869 Base-Backbone interact. energy: -1.077 local terms energy: -318.723908 where: bonds (distance) C4'-P energy: -60.584 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -84.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1021.453873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.453873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.453873 (E_RNA) where: Base-Base interactions energy: -748.434 where: short stacking energy: -292.989 Base-Backbone interact. energy: -0.838 local terms energy: -272.181695 where: bonds (distance) C4'-P energy: -48.139 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -54.358 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -74.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -957.621739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.621739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.621739 (E_RNA) where: Base-Base interactions energy: -662.981 where: short stacking energy: -274.237 Base-Backbone interact. energy: -2.506 local terms energy: -292.134792 where: bonds (distance) C4'-P energy: -55.811 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -61.048 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -76.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -949.173950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.173950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.173950 (E_RNA) where: Base-Base interactions energy: -672.846 where: short stacking energy: -278.325 Base-Backbone interact. energy: -0.455 local terms energy: -275.872755 where: bonds (distance) C4'-P energy: -48.028 bonds (distance) P-C4' energy: -50.673 flat angles C4'-P-C4' energy: -56.589 flat angles P-C4'-P energy: -41.515 tors. eta vs tors. theta energy: -79.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -866.788218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.788218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.788218 (E_RNA) where: Base-Base interactions energy: -598.647 where: short stacking energy: -249.110 Base-Backbone interact. energy: 1.039 local terms energy: -269.180123 where: bonds (distance) C4'-P energy: -48.593 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -37.231 tors. eta vs tors. theta energy: -66.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -864.056998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.056998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.056998 (E_RNA) where: Base-Base interactions energy: -599.238 where: short stacking energy: -251.218 Base-Backbone interact. energy: -1.155 local terms energy: -263.664323 where: bonds (distance) C4'-P energy: -59.500 bonds (distance) P-C4' energy: -50.632 flat angles C4'-P-C4' energy: -55.170 flat angles P-C4'-P energy: -31.668 tors. eta vs tors. theta energy: -66.694 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: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -692.594283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.594283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.594283 (E_RNA) where: Base-Base interactions energy: -457.541 where: short stacking energy: -201.476 Base-Backbone interact. energy: -0.324 local terms energy: -234.729272 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -40.120 flat angles C4'-P-C4' energy: -49.447 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: -52.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -631.616169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.616169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.616169 (E_RNA) where: Base-Base interactions energy: -413.407 where: short stacking energy: -177.563 Base-Backbone interact. energy: -1.404 local terms energy: -216.804889 where: bonds (distance) C4'-P energy: -43.094 bonds (distance) P-C4' energy: -56.877 flat angles C4'-P-C4' energy: -52.779 flat angles P-C4'-P energy: -24.256 tors. eta vs tors. theta energy: -39.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -487.690662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.690662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.690662 (E_RNA) where: Base-Base interactions energy: -294.188 where: short stacking energy: -148.538 Base-Backbone interact. energy: -0.728 local terms energy: -192.775087 where: bonds (distance) C4'-P energy: -46.453 bonds (distance) P-C4' energy: -46.618 flat angles C4'-P-C4' energy: -47.905 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -19.451 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: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -375.730193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.730193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.730193 (E_RNA) where: Base-Base interactions energy: -214.990 where: short stacking energy: -95.684 Base-Backbone interact. energy: 0.311 local terms energy: -161.051401 where: bonds (distance) C4'-P energy: -43.106 bonds (distance) P-C4' energy: -38.318 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -26.880 tors. eta vs tors. theta energy: 1.330 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1073.681542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.681542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.681542 (E_RNA) where: Base-Base interactions energy: -762.209 where: short stacking energy: -314.818 Base-Backbone interact. energy: -1.938 local terms energy: -309.534182 where: bonds (distance) C4'-P energy: -49.895 bonds (distance) P-C4' energy: -54.619 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -87.002 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: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1019.725997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.725997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.725997 (E_RNA) where: Base-Base interactions energy: -715.949 where: short stacking energy: -291.649 Base-Backbone interact. energy: -1.240 local terms energy: -302.536731 where: bonds (distance) C4'-P energy: -63.193 bonds (distance) P-C4' energy: -58.604 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -37.291 tors. eta vs tors. theta energy: -84.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -980.285345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.285345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.285345 (E_RNA) where: Base-Base interactions energy: -677.332 where: short stacking energy: -288.009 Base-Backbone interact. energy: 2.243 local terms energy: -305.196669 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -65.027 flat angles P-C4'-P energy: -36.676 tors. eta vs tors. theta energy: -79.882 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: 372 Temperature: 1.050000 Total energy: -954.960335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.960335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.960335 (E_RNA) where: Base-Base interactions energy: -683.724 where: short stacking energy: -286.274 Base-Backbone interact. energy: -0.243 local terms energy: -270.993373 where: bonds (distance) C4'-P energy: -47.262 bonds (distance) P-C4' energy: -50.825 flat angles C4'-P-C4' energy: -60.476 flat angles P-C4'-P energy: -35.179 tors. eta vs tors. theta energy: -77.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -879.768528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.768528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.768528 (E_RNA) where: Base-Base interactions energy: -599.435 where: short stacking energy: -261.429 Base-Backbone interact. energy: -0.880 local terms energy: -279.453259 where: bonds (distance) C4'-P energy: -46.075 bonds (distance) P-C4' energy: -53.294 flat angles C4'-P-C4' energy: -57.858 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -78.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -867.366513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.366513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.366513 (E_RNA) where: Base-Base interactions energy: -605.344 where: short stacking energy: -254.388 Base-Backbone interact. energy: -0.470 local terms energy: -261.552192 where: bonds (distance) C4'-P energy: -48.733 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -55.784 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: -74.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -677.579266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.579266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.579266 (E_RNA) where: Base-Base interactions energy: -448.151 where: short stacking energy: -202.933 Base-Backbone interact. energy: -0.689 local terms energy: -228.738789 where: bonds (distance) C4'-P energy: -39.674 bonds (distance) P-C4' energy: -52.827 flat angles C4'-P-C4' energy: -60.360 flat angles P-C4'-P energy: -28.407 tors. eta vs tors. theta energy: -47.471 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: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -645.291777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.291777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.291777 (E_RNA) where: Base-Base interactions energy: -408.225 where: short stacking energy: -177.627 Base-Backbone interact. energy: -0.477 local terms energy: -236.590102 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -46.912 flat angles C4'-P-C4' energy: -50.415 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -40.195 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: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -532.444457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.444457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.444457 (E_RNA) where: Base-Base interactions energy: -337.621 where: short stacking energy: -151.022 Base-Backbone interact. energy: -1.074 local terms energy: -193.749599 where: bonds (distance) C4'-P energy: -54.247 bonds (distance) P-C4' energy: -44.764 flat angles C4'-P-C4' energy: -26.549 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -36.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -390.489902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.489902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.489902 (E_RNA) where: Base-Base interactions energy: -218.837 where: short stacking energy: -115.788 Base-Backbone interact. energy: 0.713 local terms energy: -172.366059 where: bonds (distance) C4'-P energy: -49.142 bonds (distance) P-C4' energy: -48.024 flat angles C4'-P-C4' energy: -35.625 flat angles P-C4'-P energy: -29.510 tors. eta vs tors. theta energy: -10.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1077.387089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.387089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.387089 (E_RNA) where: Base-Base interactions energy: -761.896 where: short stacking energy: -310.223 Base-Backbone interact. energy: -0.353 local terms energy: -315.137258 where: bonds (distance) C4'-P energy: -56.368 bonds (distance) P-C4' energy: -57.950 flat angles C4'-P-C4' energy: -65.351 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -86.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1022.055010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.055010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.055010 (E_RNA) where: Base-Base interactions energy: -736.880 where: short stacking energy: -296.351 Base-Backbone interact. energy: -2.588 local terms energy: -282.587091 where: bonds (distance) C4'-P energy: -49.721 bonds (distance) P-C4' energy: -58.773 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -28.350 tors. eta vs tors. theta energy: -78.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -963.466128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.466128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.466128 (E_RNA) where: Base-Base interactions energy: -677.739 where: short stacking energy: -288.751 Base-Backbone interact. energy: -1.410 local terms energy: -284.316915 where: bonds (distance) C4'-P energy: -45.195 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -63.357 flat angles P-C4'-P energy: -36.435 tors. eta vs tors. theta energy: -82.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -962.110154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.110154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.110154 (E_RNA) where: Base-Base interactions energy: -662.000 where: short stacking energy: -294.819 Base-Backbone interact. energy: -4.341 local terms energy: -295.768866 where: bonds (distance) C4'-P energy: -51.927 bonds (distance) P-C4' energy: -53.259 flat angles C4'-P-C4' energy: -67.042 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -79.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -882.001455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.001455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.001455 (E_RNA) where: Base-Base interactions energy: -599.877 where: short stacking energy: -263.662 Base-Backbone interact. energy: 0.101 local terms energy: -282.225287 where: bonds (distance) C4'-P energy: -54.307 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -62.940 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -65.441 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: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -875.641202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.641202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.641202 (E_RNA) where: Base-Base interactions energy: -595.936 where: short stacking energy: -263.081 Base-Backbone interact. energy: -0.860 local terms energy: -278.845278 where: bonds (distance) C4'-P energy: -52.159 bonds (distance) P-C4' energy: -50.516 flat angles C4'-P-C4' energy: -65.619 flat angles P-C4'-P energy: -34.896 tors. eta vs tors. theta energy: -75.655 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -683.961415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.961415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.961415 (E_RNA) where: Base-Base interactions energy: -459.932 where: short stacking energy: -198.139 Base-Backbone interact. energy: 0.880 local terms energy: -224.909225 where: bonds (distance) C4'-P energy: -42.920 bonds (distance) P-C4' energy: -48.883 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -37.391 tors. eta vs tors. theta energy: -37.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -675.349308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.349308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.349308 (E_RNA) where: Base-Base interactions energy: -467.045 where: short stacking energy: -201.524 Base-Backbone interact. energy: 2.695 local terms energy: -210.999439 where: bonds (distance) C4'-P energy: -41.316 bonds (distance) P-C4' energy: -53.276 flat angles C4'-P-C4' energy: -47.376 flat angles P-C4'-P energy: -29.606 tors. eta vs tors. theta energy: -39.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -485.820037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.820037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.820037 (E_RNA) where: Base-Base interactions energy: -296.278 where: short stacking energy: -137.170 Base-Backbone interact. energy: 1.795 local terms energy: -191.337052 where: bonds (distance) C4'-P energy: -41.286 bonds (distance) P-C4' energy: -53.719 flat angles C4'-P-C4' energy: -40.523 flat angles P-C4'-P energy: -29.348 tors. eta vs tors. theta energy: -26.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -345.872670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.872670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.872670 (E_RNA) where: Base-Base interactions energy: -168.771 where: short stacking energy: -102.004 Base-Backbone interact. energy: -0.570 local terms energy: -176.532235 where: bonds (distance) C4'-P energy: -43.476 bonds (distance) P-C4' energy: -47.707 flat angles C4'-P-C4' energy: -44.766 flat angles P-C4'-P energy: -19.522 tors. eta vs tors. theta energy: -21.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1077.512180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.512180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.512180 (E_RNA) where: Base-Base interactions energy: -778.194 where: short stacking energy: -305.844 Base-Backbone interact. energy: 3.569 local terms energy: -302.886828 where: bonds (distance) C4'-P energy: -53.144 bonds (distance) P-C4' energy: -52.689 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -33.349 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: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1014.914435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.914435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.914435 (E_RNA) where: Base-Base interactions energy: -711.487 where: short stacking energy: -296.210 Base-Backbone interact. energy: 1.844 local terms energy: -305.272056 where: bonds (distance) C4'-P energy: -60.326 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -39.733 tors. eta vs tors. theta energy: -84.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -971.471756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.471756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.471756 (E_RNA) where: Base-Base interactions energy: -675.315 where: short stacking energy: -292.579 Base-Backbone interact. energy: -0.683 local terms energy: -295.473400 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -55.245 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -83.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -961.677972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.677972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.677972 (E_RNA) where: Base-Base interactions energy: -671.250 where: short stacking energy: -288.068 Base-Backbone interact. energy: -0.202 local terms energy: -290.226129 where: bonds (distance) C4'-P energy: -50.440 bonds (distance) P-C4' energy: -51.152 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -79.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -868.813153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.813153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.813153 (E_RNA) where: Base-Base interactions energy: -604.387 where: short stacking energy: -249.343 Base-Backbone interact. energy: 1.008 local terms energy: -265.434549 where: bonds (distance) C4'-P energy: -53.877 bonds (distance) P-C4' energy: -50.408 flat angles C4'-P-C4' energy: -58.372 flat angles P-C4'-P energy: -44.137 tors. eta vs tors. theta energy: -58.640 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: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -854.767671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.767671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.767671 (E_RNA) where: Base-Base interactions energy: -591.814 where: short stacking energy: -251.868 Base-Backbone interact. energy: -1.538 local terms energy: -261.415689 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -54.867 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -64.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -704.802175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.802175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.802175 (E_RNA) where: Base-Base interactions energy: -464.736 where: short stacking energy: -204.169 Base-Backbone interact. energy: -2.080 local terms energy: -237.985361 where: bonds (distance) C4'-P energy: -42.333 bonds (distance) P-C4' energy: -45.400 flat angles C4'-P-C4' energy: -50.036 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: -53.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -659.506102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.506102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.506102 (E_RNA) where: Base-Base interactions energy: -429.876 where: short stacking energy: -205.021 Base-Backbone interact. energy: 0.270 local terms energy: -229.899701 where: bonds (distance) C4'-P energy: -46.200 bonds (distance) P-C4' energy: -49.345 flat angles C4'-P-C4' energy: -43.546 flat angles P-C4'-P energy: -39.989 tors. eta vs tors. theta energy: -50.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -528.410836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.410836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.410836 (E_RNA) where: Base-Base interactions energy: -327.595 where: short stacking energy: -167.514 Base-Backbone interact. energy: -0.544 local terms energy: -200.272654 where: bonds (distance) C4'-P energy: -47.534 bonds (distance) P-C4' energy: -52.227 flat angles C4'-P-C4' energy: -49.129 flat angles P-C4'-P energy: -25.890 tors. eta vs tors. theta energy: -25.492 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: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -372.148820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.148820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.148820 (E_RNA) where: Base-Base interactions energy: -188.263 where: short stacking energy: -118.708 Base-Backbone interact. energy: -1.403 local terms energy: -182.482880 where: bonds (distance) C4'-P energy: -43.038 bonds (distance) P-C4' energy: -49.048 flat angles C4'-P-C4' energy: -47.023 flat angles P-C4'-P energy: -29.466 tors. eta vs tors. theta energy: -13.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1069.146935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.146935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.146935 (E_RNA) where: Base-Base interactions energy: -746.551 where: short stacking energy: -296.834 Base-Backbone interact. energy: 2.580 local terms energy: -325.175667 where: bonds (distance) C4'-P energy: -58.651 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -63.217 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -90.994 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: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1045.319335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.319335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.319335 (E_RNA) where: Base-Base interactions energy: -736.965 where: short stacking energy: -299.441 Base-Backbone interact. energy: -1.338 local terms energy: -307.016141 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -56.982 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -84.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -936.749164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.749164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.749164 (E_RNA) where: Base-Base interactions energy: -650.692 where: short stacking energy: -279.908 Base-Backbone interact. energy: -2.092 local terms energy: -283.965975 where: bonds (distance) C4'-P energy: -41.402 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -64.912 flat angles P-C4'-P energy: -34.400 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: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -961.056346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.056346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.056346 (E_RNA) where: Base-Base interactions energy: -682.826 where: short stacking energy: -286.208 Base-Backbone interact. energy: -0.867 local terms energy: -277.363306 where: bonds (distance) C4'-P energy: -60.966 bonds (distance) P-C4' energy: -49.754 flat angles C4'-P-C4' energy: -51.365 flat angles P-C4'-P energy: -36.864 tors. eta vs tors. theta energy: -78.414 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: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -900.900205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.900205 (E_RNA) where: Base-Base interactions energy: -637.367 where: short stacking energy: -261.255 Base-Backbone interact. energy: -0.637 local terms energy: -262.896243 where: bonds (distance) C4'-P energy: -48.751 bonds (distance) P-C4' energy: -54.607 flat angles C4'-P-C4' energy: -51.513 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -65.584 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: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -876.572607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.572607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.572607 (E_RNA) where: Base-Base interactions energy: -617.737 where: short stacking energy: -258.851 Base-Backbone interact. energy: 0.699 local terms energy: -259.534945 where: bonds (distance) C4'-P energy: -46.695 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -57.246 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -66.964 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -694.699322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.699322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.699322 (E_RNA) where: Base-Base interactions energy: -454.404 where: short stacking energy: -190.853 Base-Backbone interact. energy: -0.569 local terms energy: -239.726710 where: bonds (distance) C4'-P energy: -43.783 bonds (distance) P-C4' energy: -53.362 flat angles C4'-P-C4' energy: -64.808 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: -35.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -654.889763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.889763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.889763 (E_RNA) where: Base-Base interactions energy: -439.945 where: short stacking energy: -212.454 Base-Backbone interact. energy: -0.434 local terms energy: -214.510637 where: bonds (distance) C4'-P energy: -35.482 bonds (distance) P-C4' energy: -53.366 flat angles C4'-P-C4' energy: -53.983 flat angles P-C4'-P energy: -25.718 tors. eta vs tors. theta energy: -45.962 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: 375 Temperature: 1.300000 Total energy: -543.703089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.703089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.703089 (E_RNA) where: Base-Base interactions energy: -339.686 where: short stacking energy: -172.092 Base-Backbone interact. energy: -0.394 local terms energy: -203.622948 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -34.406 flat angles C4'-P-C4' energy: -49.796 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: -33.355 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: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -352.174961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.174961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.174961 (E_RNA) where: Base-Base interactions energy: -165.140 where: short stacking energy: -101.764 Base-Backbone interact. energy: 1.740 local terms energy: -188.775431 where: bonds (distance) C4'-P energy: -51.905 bonds (distance) P-C4' energy: -41.233 flat angles C4'-P-C4' energy: -43.357 flat angles P-C4'-P energy: -34.164 tors. eta vs tors. theta energy: -18.116 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: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1073.758929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.758929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.758929 (E_RNA) where: Base-Base interactions energy: -762.497 where: short stacking energy: -300.732 Base-Backbone interact. energy: -0.420 local terms energy: -310.842166 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -57.009 flat angles C4'-P-C4' energy: -57.312 flat angles P-C4'-P energy: -43.099 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: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1038.214582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.214582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.214582 (E_RNA) where: Base-Base interactions energy: -745.383 where: short stacking energy: -289.511 Base-Backbone interact. energy: -0.749 local terms energy: -292.082717 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -57.216 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -75.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -970.308516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.308516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.308516 (E_RNA) where: Base-Base interactions energy: -678.964 where: short stacking energy: -287.448 Base-Backbone interact. energy: 2.537 local terms energy: -293.881664 where: bonds (distance) C4'-P energy: -52.434 bonds (distance) P-C4' energy: -51.248 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -79.305 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: 376 Temperature: 1.050000 Total energy: -936.772884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.772884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.772884 (E_RNA) where: Base-Base interactions energy: -666.076 where: short stacking energy: -273.775 Base-Backbone interact. energy: -0.110 local terms energy: -270.587539 where: bonds (distance) C4'-P energy: -46.619 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -55.762 flat angles P-C4'-P energy: -37.399 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: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -900.616016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.616016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.616016 (E_RNA) where: Base-Base interactions energy: -618.263 where: short stacking energy: -265.788 Base-Backbone interact. energy: -1.156 local terms energy: -281.197167 where: bonds (distance) C4'-P energy: -50.050 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -56.564 flat angles P-C4'-P energy: -42.252 tors. eta vs tors. theta energy: -73.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -819.651188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.651188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.651188 (E_RNA) where: Base-Base interactions energy: -578.711 where: short stacking energy: -243.329 Base-Backbone interact. energy: -2.508 local terms energy: -238.432542 where: bonds (distance) C4'-P energy: -49.622 bonds (distance) P-C4' energy: -46.609 flat angles C4'-P-C4' energy: -45.971 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -58.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -688.724011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.724011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.724011 (E_RNA) where: Base-Base interactions energy: -452.447 where: short stacking energy: -202.135 Base-Backbone interact. energy: -1.260 local terms energy: -235.016528 where: bonds (distance) C4'-P energy: -44.329 bonds (distance) P-C4' energy: -53.404 flat angles C4'-P-C4' energy: -50.255 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: -48.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -638.241053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.241053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.241053 (E_RNA) where: Base-Base interactions energy: -405.038 where: short stacking energy: -186.639 Base-Backbone interact. energy: 0.844 local terms energy: -234.047073 where: bonds (distance) C4'-P energy: -46.037 bonds (distance) P-C4' energy: -60.270 flat angles C4'-P-C4' energy: -55.242 flat angles P-C4'-P energy: -30.798 tors. eta vs tors. theta energy: -41.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -549.202094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.202094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.202094 (E_RNA) where: Base-Base interactions energy: -353.034 where: short stacking energy: -184.894 Base-Backbone interact. energy: -0.591 local terms energy: -195.576846 where: bonds (distance) C4'-P energy: -37.108 bonds (distance) P-C4' energy: -41.136 flat angles C4'-P-C4' energy: -51.066 flat angles P-C4'-P energy: -28.707 tors. eta vs tors. theta energy: -37.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -349.374326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.374326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.374326 (E_RNA) where: Base-Base interactions energy: -175.981 where: short stacking energy: -99.954 Base-Backbone interact. energy: 1.229 local terms energy: -174.622492 where: bonds (distance) C4'-P energy: -43.958 bonds (distance) P-C4' energy: -55.645 flat angles C4'-P-C4' energy: -48.683 flat angles P-C4'-P energy: -21.830 tors. eta vs tors. theta energy: -4.507 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: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1067.381064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.381064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.381064 (E_RNA) where: Base-Base interactions energy: -765.932 where: short stacking energy: -306.302 Base-Backbone interact. energy: 1.581 local terms energy: -303.030073 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -65.510 flat angles P-C4'-P energy: -40.707 tors. eta vs tors. theta energy: -84.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1024.322566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.322566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.322566 (E_RNA) where: Base-Base interactions energy: -722.797 where: short stacking energy: -285.872 Base-Backbone interact. energy: -0.859 local terms energy: -300.666352 where: bonds (distance) C4'-P energy: -54.889 bonds (distance) P-C4' energy: -56.105 flat angles C4'-P-C4' energy: -65.986 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -80.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -978.900946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.900946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.900946 (E_RNA) where: Base-Base interactions energy: -668.943 where: short stacking energy: -286.943 Base-Backbone interact. energy: -0.658 local terms energy: -309.299846 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -56.811 flat angles C4'-P-C4' energy: -67.529 flat angles P-C4'-P energy: -48.686 tors. eta vs tors. theta energy: -84.031 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: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -938.601935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.601935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.601935 (E_RNA) where: Base-Base interactions energy: -651.601 where: short stacking energy: -278.890 Base-Backbone interact. energy: -0.381 local terms energy: -286.619635 where: bonds (distance) C4'-P energy: -45.570 bonds (distance) P-C4' energy: -47.891 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: -82.390 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: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -904.512469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.512469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.512469 (E_RNA) where: Base-Base interactions energy: -632.065 where: short stacking energy: -271.400 Base-Backbone interact. energy: -0.324 local terms energy: -272.124109 where: bonds (distance) C4'-P energy: -47.062 bonds (distance) P-C4' energy: -50.578 flat angles C4'-P-C4' energy: -60.967 flat angles P-C4'-P energy: -38.876 tors. eta vs tors. theta energy: -74.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -830.888257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.888257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.888257 (E_RNA) where: Base-Base interactions energy: -566.492 where: short stacking energy: -244.960 Base-Backbone interact. energy: -1.329 local terms energy: -263.067108 where: bonds (distance) C4'-P energy: -54.092 bonds (distance) P-C4' energy: -57.088 flat angles C4'-P-C4' energy: -60.587 flat angles P-C4'-P energy: -25.160 tors. eta vs tors. theta energy: -66.140 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -713.718762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.718762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.718762 (E_RNA) where: Base-Base interactions energy: -484.458 where: short stacking energy: -202.130 Base-Backbone interact. energy: -0.316 local terms energy: -228.944623 where: bonds (distance) C4'-P energy: -48.230 bonds (distance) P-C4' energy: -53.260 flat angles C4'-P-C4' energy: -34.971 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -50.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -577.883064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.883064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.883064 (E_RNA) where: Base-Base interactions energy: -368.292 where: short stacking energy: -178.334 Base-Backbone interact. energy: -1.464 local terms energy: -208.126970 where: bonds (distance) C4'-P energy: -40.462 bonds (distance) P-C4' energy: -49.420 flat angles C4'-P-C4' energy: -54.023 flat angles P-C4'-P energy: -26.146 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: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -510.932126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.932126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.932126 (E_RNA) where: Base-Base interactions energy: -311.890 where: short stacking energy: -150.577 Base-Backbone interact. energy: -0.816 local terms energy: -198.225973 where: bonds (distance) C4'-P energy: -50.501 bonds (distance) P-C4' energy: -61.446 flat angles C4'-P-C4' energy: -48.876 flat angles P-C4'-P energy: -20.232 tors. eta vs tors. theta energy: -17.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -373.876615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.876615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.876615 (E_RNA) where: Base-Base interactions energy: -185.983 where: short stacking energy: -93.309 Base-Backbone interact. energy: 0.910 local terms energy: -188.803215 where: bonds (distance) C4'-P energy: -47.295 bonds (distance) P-C4' energy: -48.882 flat angles C4'-P-C4' energy: -50.181 flat angles P-C4'-P energy: -30.625 tors. eta vs tors. theta energy: -11.820 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: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1071.884987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.884987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.884987 (E_RNA) where: Base-Base interactions energy: -751.829 where: short stacking energy: -304.412 Base-Backbone interact. energy: -0.857 local terms energy: -319.199456 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -66.515 flat angles P-C4'-P energy: -47.967 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: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1024.676807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.676807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.676807 (E_RNA) where: Base-Base interactions energy: -729.926 where: short stacking energy: -288.713 Base-Backbone interact. energy: 2.394 local terms energy: -297.145706 where: bonds (distance) C4'-P energy: -55.005 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -64.831 flat angles P-C4'-P energy: -43.510 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: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -970.659515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.659515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.659515 (E_RNA) where: Base-Base interactions energy: -662.298 where: short stacking energy: -289.981 Base-Backbone interact. energy: -0.587 local terms energy: -307.775019 where: bonds (distance) C4'-P energy: -59.398 bonds (distance) P-C4' energy: -48.338 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -49.658 tors. eta vs tors. theta energy: -82.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -941.640535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.640535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.640535 (E_RNA) where: Base-Base interactions energy: -658.614 where: short stacking energy: -278.907 Base-Backbone interact. energy: -0.043 local terms energy: -282.983948 where: bonds (distance) C4'-P energy: -47.426 bonds (distance) P-C4' energy: -53.439 flat angles C4'-P-C4' energy: -66.813 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -75.686 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: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -884.946965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.946965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.946965 (E_RNA) where: Base-Base interactions energy: -611.191 where: short stacking energy: -250.733 Base-Backbone interact. energy: -0.659 local terms energy: -273.097362 where: bonds (distance) C4'-P energy: -53.530 bonds (distance) P-C4' energy: -52.187 flat angles C4'-P-C4' energy: -58.524 flat angles P-C4'-P energy: -39.602 tors. eta vs tors. theta energy: -69.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -837.192235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.192235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.192235 (E_RNA) where: Base-Base interactions energy: -575.162 where: short stacking energy: -236.489 Base-Backbone interact. energy: -0.810 local terms energy: -261.220116 where: bonds (distance) C4'-P energy: -46.918 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -58.099 flat angles P-C4'-P energy: -31.992 tors. eta vs tors. theta energy: -66.160 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: 378 Temperature: 1.200000 Total energy: -744.806637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.806637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.806637 (E_RNA) where: Base-Base interactions energy: -512.064 where: short stacking energy: -212.708 Base-Backbone interact. energy: 0.533 local terms energy: -233.275908 where: bonds (distance) C4'-P energy: -41.359 bonds (distance) P-C4' energy: -41.353 flat angles C4'-P-C4' energy: -52.760 flat angles P-C4'-P energy: -44.371 tors. eta vs tors. theta energy: -53.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -563.046443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.046443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.046443 (E_RNA) where: Base-Base interactions energy: -354.959 where: short stacking energy: -164.932 Base-Backbone interact. energy: -0.722 local terms energy: -207.365238 where: bonds (distance) C4'-P energy: -47.695 bonds (distance) P-C4' energy: -54.062 flat angles C4'-P-C4' energy: -45.244 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -30.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -490.820121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.820121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.820121 (E_RNA) where: Base-Base interactions energy: -291.207 where: short stacking energy: -157.420 Base-Backbone interact. energy: -0.713 local terms energy: -198.899989 where: bonds (distance) C4'-P energy: -37.109 bonds (distance) P-C4' energy: -49.772 flat angles C4'-P-C4' energy: -52.230 flat angles P-C4'-P energy: -32.860 tors. eta vs tors. theta energy: -26.929 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: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -351.064056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.064056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.064056 (E_RNA) where: Base-Base interactions energy: -185.543 where: short stacking energy: -100.723 Base-Backbone interact. energy: 1.334 local terms energy: -166.854808 where: bonds (distance) C4'-P energy: -48.607 bonds (distance) P-C4' energy: -38.298 flat angles C4'-P-C4' energy: -41.716 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1071.339168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.339168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.339168 (E_RNA) where: Base-Base interactions energy: -772.145 where: short stacking energy: -305.609 Base-Backbone interact. energy: -0.320 local terms energy: -298.874482 where: bonds (distance) C4'-P energy: -52.608 bonds (distance) P-C4' energy: -50.979 flat angles C4'-P-C4' energy: -62.183 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -78.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1029.730469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.730469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.730469 (E_RNA) where: Base-Base interactions energy: -739.942 where: short stacking energy: -299.567 Base-Backbone interact. energy: -0.122 local terms energy: -289.666352 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -51.700 flat angles C4'-P-C4' energy: -64.864 flat angles P-C4'-P energy: -42.394 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: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -957.432513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.432513 (E_RNA) where: Base-Base interactions energy: -660.986 where: short stacking energy: -281.741 Base-Backbone interact. energy: -0.359 local terms energy: -296.087121 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -62.916 flat angles P-C4'-P energy: -38.120 tors. eta vs tors. theta energy: -81.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -943.798944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.798944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.798944 (E_RNA) where: Base-Base interactions energy: -648.037 where: short stacking energy: -279.874 Base-Backbone interact. energy: 2.711 local terms energy: -298.473316 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -51.588 flat angles C4'-P-C4' energy: -68.408 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: -78.366 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: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -860.459889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.459889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.459889 (E_RNA) where: Base-Base interactions energy: -581.868 where: short stacking energy: -236.109 Base-Backbone interact. energy: -1.148 local terms energy: -277.443923 where: bonds (distance) C4'-P energy: -52.692 bonds (distance) P-C4' energy: -57.578 flat angles C4'-P-C4' energy: -64.416 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -58.185 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: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -846.545516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.545516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.545516 (E_RNA) where: Base-Base interactions energy: -584.005 where: short stacking energy: -246.292 Base-Backbone interact. energy: 1.259 local terms energy: -263.800403 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -49.632 flat angles P-C4'-P energy: -31.737 tors. eta vs tors. theta energy: -67.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -758.754239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.754239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.754239 (E_RNA) where: Base-Base interactions energy: -514.094 where: short stacking energy: -237.179 Base-Backbone interact. energy: -1.539 local terms energy: -243.120915 where: bonds (distance) C4'-P energy: -44.888 bonds (distance) P-C4' energy: -47.706 flat angles C4'-P-C4' energy: -57.264 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -56.127 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: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -559.207574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.207574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.207574 (E_RNA) where: Base-Base interactions energy: -349.860 where: short stacking energy: -173.671 Base-Backbone interact. energy: -0.600 local terms energy: -208.746991 where: bonds (distance) C4'-P energy: -49.282 bonds (distance) P-C4' energy: -50.642 flat angles C4'-P-C4' energy: -45.336 flat angles P-C4'-P energy: -33.669 tors. eta vs tors. theta energy: -29.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -509.397443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.397443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.397443 (E_RNA) where: Base-Base interactions energy: -305.711 where: short stacking energy: -143.428 Base-Backbone interact. energy: -0.936 local terms energy: -202.750317 where: bonds (distance) C4'-P energy: -42.544 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -53.355 flat angles P-C4'-P energy: -31.457 tors. eta vs tors. theta energy: -22.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -374.098192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.098192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.098192 (E_RNA) where: Base-Base interactions energy: -190.965 where: short stacking energy: -103.886 Base-Backbone interact. energy: -1.320 local terms energy: -181.813853 where: bonds (distance) C4'-P energy: -43.862 bonds (distance) P-C4' energy: -50.930 flat angles C4'-P-C4' energy: -45.631 flat angles P-C4'-P energy: -31.786 tors. eta vs tors. theta energy: -9.604 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: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1049.302832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.302832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.302832 (E_RNA) where: Base-Base interactions energy: -740.982 where: short stacking energy: -300.064 Base-Backbone interact. energy: -0.975 local terms energy: -307.344959 where: bonds (distance) C4'-P energy: -56.114 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -64.850 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -77.338 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: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1063.179909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.179909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.179909 (E_RNA) where: Base-Base interactions energy: -756.817 where: short stacking energy: -320.757 Base-Backbone interact. energy: -1.777 local terms energy: -304.585365 where: bonds (distance) C4'-P energy: -52.447 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -64.952 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: -88.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -944.843980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.843980 (E_RNA) where: Base-Base interactions energy: -667.964 where: short stacking energy: -291.391 Base-Backbone interact. energy: 0.326 local terms energy: -277.205855 where: bonds (distance) C4'-P energy: -52.230 bonds (distance) P-C4' energy: -58.937 flat angles C4'-P-C4' energy: -58.817 flat angles P-C4'-P energy: -30.378 tors. eta vs tors. theta energy: -76.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -947.073160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.073160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.073160 (E_RNA) where: Base-Base interactions energy: -655.409 where: short stacking energy: -284.359 Base-Backbone interact. energy: -1.539 local terms energy: -290.124879 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -55.231 flat angles P-C4'-P energy: -35.514 tors. eta vs tors. theta energy: -83.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -845.479522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.479522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.479522 (E_RNA) where: Base-Base interactions energy: -587.118 where: short stacking energy: -244.883 Base-Backbone interact. energy: -0.894 local terms energy: -257.468251 where: bonds (distance) C4'-P energy: -49.192 bonds (distance) P-C4' energy: -47.268 flat angles C4'-P-C4' energy: -61.889 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -55.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -808.698743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.698743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.698743 (E_RNA) where: Base-Base interactions energy: -560.626 where: short stacking energy: -227.023 Base-Backbone interact. energy: -1.648 local terms energy: -246.424577 where: bonds (distance) C4'-P energy: -49.705 bonds (distance) P-C4' energy: -39.258 flat angles C4'-P-C4' energy: -64.736 flat angles P-C4'-P energy: -28.821 tors. eta vs tors. theta energy: -63.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -765.985879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.985879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.985879 (E_RNA) where: Base-Base interactions energy: -515.136 where: short stacking energy: -235.673 Base-Backbone interact. energy: -1.026 local terms energy: -249.823251 where: bonds (distance) C4'-P energy: -49.056 bonds (distance) P-C4' energy: -54.569 flat angles C4'-P-C4' energy: -57.402 flat angles P-C4'-P energy: -25.425 tors. eta vs tors. theta energy: -63.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -568.328718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.328718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.328718 (E_RNA) where: Base-Base interactions energy: -339.855 where: short stacking energy: -175.042 Base-Backbone interact. energy: 2.100 local terms energy: -230.574252 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -53.502 flat angles C4'-P-C4' energy: -52.733 flat angles P-C4'-P energy: -27.779 tors. eta vs tors. theta energy: -37.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -502.047139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.047139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.047139 (E_RNA) where: Base-Base interactions energy: -300.933 where: short stacking energy: -148.342 Base-Backbone interact. energy: 3.302 local terms energy: -204.416376 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -49.419 flat angles C4'-P-C4' energy: -47.602 flat angles P-C4'-P energy: -25.546 tors. eta vs tors. theta energy: -23.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -362.445822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.445822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.445822 (E_RNA) where: Base-Base interactions energy: -189.286 where: short stacking energy: -112.913 Base-Backbone interact. energy: -0.943 local terms energy: -172.216523 where: bonds (distance) C4'-P energy: -48.959 bonds (distance) P-C4' energy: -40.323 flat angles C4'-P-C4' energy: -57.581 flat angles P-C4'-P energy: -25.064 tors. eta vs tors. theta energy: -0.289 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: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1049.282609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.282609 (E_RNA) where: Base-Base interactions energy: -732.829 where: short stacking energy: -288.562 Base-Backbone interact. energy: -1.589 local terms energy: -314.864030 where: bonds (distance) C4'-P energy: -54.457 bonds (distance) P-C4' energy: -62.254 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -83.209 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: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1051.223997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.223997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.223997 (E_RNA) where: Base-Base interactions energy: -740.675 where: short stacking energy: -311.097 Base-Backbone interact. energy: -1.021 local terms energy: -309.527692 where: bonds (distance) C4'-P energy: -66.960 bonds (distance) P-C4' energy: -49.702 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -84.345 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: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -952.771238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.771238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.771238 (E_RNA) where: Base-Base interactions energy: -666.131 where: short stacking energy: -281.188 Base-Backbone interact. energy: -2.113 local terms energy: -284.526831 where: bonds (distance) C4'-P energy: -49.891 bonds (distance) P-C4' energy: -55.570 flat angles C4'-P-C4' energy: -60.511 flat angles P-C4'-P energy: -35.356 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: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -944.329357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.329357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.329357 (E_RNA) where: Base-Base interactions energy: -672.901 where: short stacking energy: -290.105 Base-Backbone interact. energy: 0.412 local terms energy: -271.839809 where: bonds (distance) C4'-P energy: -50.459 bonds (distance) P-C4' energy: -45.621 flat angles C4'-P-C4' energy: -62.328 flat angles P-C4'-P energy: -33.922 tors. eta vs tors. theta energy: -79.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -854.568857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.568857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.568857 (E_RNA) where: Base-Base interactions energy: -574.704 where: short stacking energy: -241.959 Base-Backbone interact. energy: 2.609 local terms energy: -282.474458 where: bonds (distance) C4'-P energy: -52.658 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -55.924 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -67.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -766.522222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.522222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.522222 (E_RNA) where: Base-Base interactions energy: -528.736 where: short stacking energy: -245.268 Base-Backbone interact. energy: 0.140 local terms energy: -237.926440 where: bonds (distance) C4'-P energy: -39.634 bonds (distance) P-C4' energy: -41.420 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -41.497 tors. eta vs tors. theta energy: -65.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -832.241463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.241463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.241463 (E_RNA) where: Base-Base interactions energy: -561.768 where: short stacking energy: -252.267 Base-Backbone interact. energy: -1.874 local terms energy: -268.598682 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -49.159 flat angles C4'-P-C4' energy: -61.951 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -62.867 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: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -559.378658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.378658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.378658 (E_RNA) where: Base-Base interactions energy: -343.667 where: short stacking energy: -154.258 Base-Backbone interact. energy: 0.827 local terms energy: -216.538360 where: bonds (distance) C4'-P energy: -36.209 bonds (distance) P-C4' energy: -51.173 flat angles C4'-P-C4' energy: -60.189 flat angles P-C4'-P energy: -36.331 tors. eta vs tors. theta energy: -32.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -523.573184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.573184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.573184 (E_RNA) where: Base-Base interactions energy: -322.212 where: short stacking energy: -148.353 Base-Backbone interact. energy: 1.114 local terms energy: -202.475343 where: bonds (distance) C4'-P energy: -46.233 bonds (distance) P-C4' energy: -47.870 flat angles C4'-P-C4' energy: -45.065 flat angles P-C4'-P energy: -32.648 tors. eta vs tors. theta energy: -30.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -396.342107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.342107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.342107 (E_RNA) where: Base-Base interactions energy: -212.266 where: short stacking energy: -130.225 Base-Backbone interact. energy: 1.944 local terms energy: -186.019826 where: bonds (distance) C4'-P energy: -48.012 bonds (distance) P-C4' energy: -44.967 flat angles C4'-P-C4' energy: -41.222 flat angles P-C4'-P energy: -34.169 tors. eta vs tors. theta energy: -17.650 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: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1060.052134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.052134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.052134 (E_RNA) where: Base-Base interactions energy: -745.851 where: short stacking energy: -293.102 Base-Backbone interact. energy: -0.093 local terms energy: -314.107810 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -56.792 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -45.083 tors. eta vs tors. theta energy: -80.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1077.644465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.644465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.644465 (E_RNA) where: Base-Base interactions energy: -765.268 where: short stacking energy: -315.724 Base-Backbone interact. energy: -0.913 local terms energy: -311.463658 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -65.001 flat angles C4'-P-C4' energy: -62.701 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: -85.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -971.675655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.675655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.675655 (E_RNA) where: Base-Base interactions energy: -681.511 where: short stacking energy: -292.692 Base-Backbone interact. energy: -0.859 local terms energy: -289.306273 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -50.152 flat angles C4'-P-C4' energy: -67.710 flat angles P-C4'-P energy: -28.762 tors. eta vs tors. theta energy: -85.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -931.565847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.565847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.565847 (E_RNA) where: Base-Base interactions energy: -651.480 where: short stacking energy: -274.978 Base-Backbone interact. energy: -0.871 local terms energy: -279.215094 where: bonds (distance) C4'-P energy: -58.830 bonds (distance) P-C4' energy: -49.024 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -70.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -884.723959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.723959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.723959 (E_RNA) where: Base-Base interactions energy: -621.508 where: short stacking energy: -268.726 Base-Backbone interact. energy: -0.090 local terms energy: -263.125240 where: bonds (distance) C4'-P energy: -46.679 bonds (distance) P-C4' energy: -53.110 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: -66.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -793.385245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.385245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.385245 (E_RNA) where: Base-Base interactions energy: -543.930 where: short stacking energy: -239.724 Base-Backbone interact. energy: -0.914 local terms energy: -248.541461 where: bonds (distance) C4'-P energy: -44.213 bonds (distance) P-C4' energy: -50.186 flat angles C4'-P-C4' energy: -47.213 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -64.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -787.197964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.197964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.197964 (E_RNA) where: Base-Base interactions energy: -532.459 where: short stacking energy: -232.883 Base-Backbone interact. energy: -0.890 local terms energy: -253.849034 where: bonds (distance) C4'-P energy: -52.908 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -25.228 tors. eta vs tors. theta energy: -66.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -614.230339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.230339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.230339 (E_RNA) where: Base-Base interactions energy: -387.103 where: short stacking energy: -171.754 Base-Backbone interact. energy: -1.258 local terms energy: -225.869785 where: bonds (distance) C4'-P energy: -53.676 bonds (distance) P-C4' energy: -44.669 flat angles C4'-P-C4' energy: -53.723 flat angles P-C4'-P energy: -35.242 tors. eta vs tors. theta energy: -38.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -523.217818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.217818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.217818 (E_RNA) where: Base-Base interactions energy: -294.903 where: short stacking energy: -138.410 Base-Backbone interact. energy: 4.889 local terms energy: -233.204046 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -52.193 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -24.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -379.138017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.138017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.138017 (E_RNA) where: Base-Base interactions energy: -207.538 where: short stacking energy: -99.417 Base-Backbone interact. energy: 0.004 local terms energy: -171.603908 where: bonds (distance) C4'-P energy: -40.727 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -41.888 flat angles P-C4'-P energy: -26.058 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1053.555211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.555211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.555211 (E_RNA) where: Base-Base interactions energy: -735.876 where: short stacking energy: -300.659 Base-Backbone interact. energy: -1.432 local terms energy: -316.246988 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -64.175 flat angles P-C4'-P energy: -47.446 tors. eta vs tors. theta energy: -86.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1064.362763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.362763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.362763 (E_RNA) where: Base-Base interactions energy: -751.038 where: short stacking energy: -294.562 Base-Backbone interact. energy: 1.829 local terms energy: -315.154061 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -64.194 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -84.091 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: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -985.309568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.309568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.309568 (E_RNA) where: Base-Base interactions energy: -695.007 where: short stacking energy: -281.197 Base-Backbone interact. energy: 0.905 local terms energy: -291.206954 where: bonds (distance) C4'-P energy: -49.848 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -42.136 tors. eta vs tors. theta energy: -79.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -926.820277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.820277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.820277 (E_RNA) where: Base-Base interactions energy: -647.382 where: short stacking energy: -280.580 Base-Backbone interact. energy: -1.265 local terms energy: -278.173378 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -43.977 flat angles C4'-P-C4' energy: -57.169 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -76.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -890.377457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.377457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.377457 (E_RNA) where: Base-Base interactions energy: -636.510 where: short stacking energy: -263.193 Base-Backbone interact. energy: -1.032 local terms energy: -252.835679 where: bonds (distance) C4'-P energy: -48.378 bonds (distance) P-C4' energy: -45.116 flat angles C4'-P-C4' energy: -51.453 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -69.457 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: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -852.001675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.001675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.001675 (E_RNA) where: Base-Base interactions energy: -591.606 where: short stacking energy: -240.324 Base-Backbone interact. energy: -1.072 local terms energy: -259.323575 where: bonds (distance) C4'-P energy: -40.828 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -55.474 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: -68.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -787.177678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.177678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.177678 (E_RNA) where: Base-Base interactions energy: -548.704 where: short stacking energy: -242.373 Base-Backbone interact. energy: -1.063 local terms energy: -237.410387 where: bonds (distance) C4'-P energy: -41.785 bonds (distance) P-C4' energy: -40.172 flat angles C4'-P-C4' energy: -52.002 flat angles P-C4'-P energy: -35.199 tors. eta vs tors. theta energy: -68.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -592.298246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.298246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.298246 (E_RNA) where: Base-Base interactions energy: -396.216 where: short stacking energy: -183.220 Base-Backbone interact. energy: -1.603 local terms energy: -194.479189 where: bonds (distance) C4'-P energy: -37.364 bonds (distance) P-C4' energy: -50.020 flat angles C4'-P-C4' energy: -49.511 flat angles P-C4'-P energy: -30.046 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: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -491.285725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.285725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.285725 (E_RNA) where: Base-Base interactions energy: -303.832 where: short stacking energy: -154.173 Base-Backbone interact. energy: -0.933 local terms energy: -186.520784 where: bonds (distance) C4'-P energy: -51.812 bonds (distance) P-C4' energy: -56.552 flat angles C4'-P-C4' energy: -32.557 flat angles P-C4'-P energy: -28.255 tors. eta vs tors. theta energy: -17.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -435.618688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.618688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.618688 (E_RNA) where: Base-Base interactions energy: -256.922 where: short stacking energy: -133.394 Base-Backbone interact. energy: 0.682 local terms energy: -179.378516 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -43.507 flat angles C4'-P-C4' energy: -42.660 flat angles P-C4'-P energy: -20.703 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1068.635200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.635200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.635200 (E_RNA) where: Base-Base interactions energy: -743.443 where: short stacking energy: -304.732 Base-Backbone interact. energy: -0.880 local terms energy: -324.312584 where: bonds (distance) C4'-P energy: -53.976 bonds (distance) P-C4' energy: -54.809 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -90.940 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: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1030.618721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.618721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.618721 (E_RNA) where: Base-Base interactions energy: -735.296 where: short stacking energy: -293.484 Base-Backbone interact. energy: -2.472 local terms energy: -292.850894 where: bonds (distance) C4'-P energy: -55.558 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -79.274 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: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -975.141200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.141200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.141200 (E_RNA) where: Base-Base interactions energy: -689.386 where: short stacking energy: -293.385 Base-Backbone interact. energy: -0.741 local terms energy: -285.013766 where: bonds (distance) C4'-P energy: -46.716 bonds (distance) P-C4' energy: -54.275 flat angles C4'-P-C4' energy: -60.277 flat angles P-C4'-P energy: -42.034 tors. eta vs tors. theta energy: -81.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -937.471193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.471193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.471193 (E_RNA) where: Base-Base interactions energy: -647.668 where: short stacking energy: -277.920 Base-Backbone interact. energy: 2.027 local terms energy: -291.830386 where: bonds (distance) C4'-P energy: -48.198 bonds (distance) P-C4' energy: -58.035 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -79.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -901.910612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.910612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.910612 (E_RNA) where: Base-Base interactions energy: -624.474 where: short stacking energy: -257.004 Base-Backbone interact. energy: 3.037 local terms energy: -280.473336 where: bonds (distance) C4'-P energy: -52.977 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -56.991 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -66.398 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: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -890.238042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.238042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.238042 (E_RNA) where: Base-Base interactions energy: -606.413 where: short stacking energy: -264.279 Base-Backbone interact. energy: 0.253 local terms energy: -284.078158 where: bonds (distance) C4'-P energy: -52.366 bonds (distance) P-C4' energy: -45.098 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -77.542 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: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -790.446811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.446811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.446811 (E_RNA) where: Base-Base interactions energy: -549.675 where: short stacking energy: -238.527 Base-Backbone interact. energy: -0.791 local terms energy: -239.980699 where: bonds (distance) C4'-P energy: -39.959 bonds (distance) P-C4' energy: -48.538 flat angles C4'-P-C4' energy: -56.498 flat angles P-C4'-P energy: -31.709 tors. eta vs tors. theta energy: -63.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -620.303171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.303171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.303171 (E_RNA) where: Base-Base interactions energy: -398.804 where: short stacking energy: -180.701 Base-Backbone interact. energy: -1.758 local terms energy: -219.741753 where: bonds (distance) C4'-P energy: -52.040 bonds (distance) P-C4' energy: -51.676 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -33.022 tors. eta vs tors. theta energy: -31.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -491.352578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.352578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.352578 (E_RNA) where: Base-Base interactions energy: -305.679 where: short stacking energy: -158.256 Base-Backbone interact. energy: -0.355 local terms energy: -185.319167 where: bonds (distance) C4'-P energy: -36.254 bonds (distance) P-C4' energy: -48.688 flat angles C4'-P-C4' energy: -54.217 flat angles P-C4'-P energy: -26.728 tors. eta vs tors. theta energy: -19.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -443.527446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.527446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.527446 (E_RNA) where: Base-Base interactions energy: -253.204 where: short stacking energy: -138.560 Base-Backbone interact. energy: -2.211 local terms energy: -188.112857 where: bonds (distance) C4'-P energy: -36.697 bonds (distance) P-C4' energy: -51.490 flat angles C4'-P-C4' energy: -44.812 flat angles P-C4'-P energy: -29.927 tors. eta vs tors. theta energy: -25.188 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: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1074.745661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.745661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.745661 (E_RNA) where: Base-Base interactions energy: -766.908 where: short stacking energy: -304.296 Base-Backbone interact. energy: 0.789 local terms energy: -308.626173 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -52.431 flat angles C4'-P-C4' energy: -60.959 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: -86.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1020.484734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.484734 (E_RNA) where: Base-Base interactions energy: -718.084 where: short stacking energy: -302.777 Base-Backbone interact. energy: -1.706 local terms energy: -300.694365 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -64.232 flat angles P-C4'-P energy: -45.956 tors. eta vs tors. theta energy: -82.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -964.087423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.087423 (E_RNA) where: Base-Base interactions energy: -667.236 where: short stacking energy: -284.064 Base-Backbone interact. energy: 0.539 local terms energy: -297.390232 where: bonds (distance) C4'-P energy: -49.082 bonds (distance) P-C4' energy: -60.404 flat angles C4'-P-C4' energy: -57.424 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -85.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -945.557529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.557529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.557529 (E_RNA) where: Base-Base interactions energy: -648.866 where: short stacking energy: -286.481 Base-Backbone interact. energy: 2.124 local terms energy: -298.815830 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -51.538 flat angles C4'-P-C4' energy: -59.978 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -82.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -922.218391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.218391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.218391 (E_RNA) where: Base-Base interactions energy: -652.504 where: short stacking energy: -258.351 Base-Backbone interact. energy: -0.986 local terms energy: -268.728381 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -58.514 flat angles C4'-P-C4' energy: -58.361 flat angles P-C4'-P energy: -38.689 tors. eta vs tors. theta energy: -61.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -872.921481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.921481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.921481 (E_RNA) where: Base-Base interactions energy: -596.514 where: short stacking energy: -254.794 Base-Backbone interact. energy: 0.233 local terms energy: -276.639913 where: bonds (distance) C4'-P energy: -47.332 bonds (distance) P-C4' energy: -55.896 flat angles C4'-P-C4' energy: -57.207 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -78.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -791.920540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.920540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.920540 (E_RNA) where: Base-Base interactions energy: -535.860 where: short stacking energy: -223.487 Base-Backbone interact. energy: -1.014 local terms energy: -255.046792 where: bonds (distance) C4'-P energy: -53.373 bonds (distance) P-C4' energy: -51.993 flat angles C4'-P-C4' energy: -54.824 flat angles P-C4'-P energy: -35.809 tors. eta vs tors. theta energy: -59.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -613.268190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.268190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.268190 (E_RNA) where: Base-Base interactions energy: -398.133 where: short stacking energy: -172.908 Base-Backbone interact. energy: -1.177 local terms energy: -213.958738 where: bonds (distance) C4'-P energy: -50.768 bonds (distance) P-C4' energy: -41.767 flat angles C4'-P-C4' energy: -50.596 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -34.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -494.826956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.826956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.826956 (E_RNA) where: Base-Base interactions energy: -311.274 where: short stacking energy: -149.003 Base-Backbone interact. energy: -0.543 local terms energy: -183.010450 where: bonds (distance) C4'-P energy: -41.342 bonds (distance) P-C4' energy: -56.229 flat angles C4'-P-C4' energy: -49.447 flat angles P-C4'-P energy: -27.444 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: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -421.689174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.689174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.689174 (E_RNA) where: Base-Base interactions energy: -252.847 where: short stacking energy: -125.132 Base-Backbone interact. energy: 0.166 local terms energy: -169.008562 where: bonds (distance) C4'-P energy: -40.803 bonds (distance) P-C4' energy: -43.575 flat angles C4'-P-C4' energy: -42.480 flat angles P-C4'-P energy: -30.007 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1048.909690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.909690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.909690 (E_RNA) where: Base-Base interactions energy: -753.315 where: short stacking energy: -306.707 Base-Backbone interact. energy: 1.191 local terms energy: -296.786197 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -57.103 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: -82.081 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1037.144490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.144490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.144490 (E_RNA) where: Base-Base interactions energy: -735.209 where: short stacking energy: -309.793 Base-Backbone interact. energy: -3.114 local terms energy: -298.821832 where: bonds (distance) C4'-P energy: -49.977 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -58.456 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -83.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -980.950862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.950862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.950862 (E_RNA) where: Base-Base interactions energy: -679.023 where: short stacking energy: -293.108 Base-Backbone interact. energy: -2.145 local terms energy: -299.783372 where: bonds (distance) C4'-P energy: -55.981 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -66.333 flat angles P-C4'-P energy: -36.563 tors. eta vs tors. theta energy: -87.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -908.659463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.659463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.659463 (E_RNA) where: Base-Base interactions energy: -633.567 where: short stacking energy: -266.550 Base-Backbone interact. energy: -1.312 local terms energy: -273.780881 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -57.425 flat angles P-C4'-P energy: -36.042 tors. eta vs tors. theta energy: -76.230 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: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -889.688986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.688986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.688986 (E_RNA) where: Base-Base interactions energy: -632.640 where: short stacking energy: -257.596 Base-Backbone interact. energy: -1.163 local terms energy: -255.885349 where: bonds (distance) C4'-P energy: -42.343 bonds (distance) P-C4' energy: -56.781 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -29.524 tors. eta vs tors. theta energy: -69.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -845.871827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.871827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.871827 (E_RNA) where: Base-Base interactions energy: -582.436 where: short stacking energy: -254.950 Base-Backbone interact. energy: -0.281 local terms energy: -263.154643 where: bonds (distance) C4'-P energy: -52.415 bonds (distance) P-C4' energy: -40.233 flat angles C4'-P-C4' energy: -55.913 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -79.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -741.347094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.347094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.347094 (E_RNA) where: Base-Base interactions energy: -494.047 where: short stacking energy: -213.187 Base-Backbone interact. energy: -0.585 local terms energy: -246.715041 where: bonds (distance) C4'-P energy: -45.859 bonds (distance) P-C4' energy: -56.499 flat angles C4'-P-C4' energy: -55.516 flat angles P-C4'-P energy: -35.363 tors. eta vs tors. theta energy: -53.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -582.450983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.450983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.450983 (E_RNA) where: Base-Base interactions energy: -365.188 where: short stacking energy: -182.431 Base-Backbone interact. energy: 3.366 local terms energy: -220.629134 where: bonds (distance) C4'-P energy: -45.657 bonds (distance) P-C4' energy: -48.536 flat angles C4'-P-C4' energy: -53.475 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -38.789 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: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -512.766543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.766543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.766543 (E_RNA) where: Base-Base interactions energy: -346.210 where: short stacking energy: -146.166 Base-Backbone interact. energy: -1.157 local terms energy: -165.400236 where: bonds (distance) C4'-P energy: -40.083 bonds (distance) P-C4' energy: -44.202 flat angles C4'-P-C4' energy: -30.417 flat angles P-C4'-P energy: -32.419 tors. eta vs tors. theta energy: -18.279 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: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -427.878966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.878966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.878966 (E_RNA) where: Base-Base interactions energy: -246.358 where: short stacking energy: -126.715 Base-Backbone interact. energy: 2.715 local terms energy: -184.235877 where: bonds (distance) C4'-P energy: -48.969 bonds (distance) P-C4' energy: -50.707 flat angles C4'-P-C4' energy: -40.509 flat angles P-C4'-P energy: -35.785 tors. eta vs tors. theta energy: -8.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1057.928013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.928013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.928013 (E_RNA) where: Base-Base interactions energy: -738.714 where: short stacking energy: -297.182 Base-Backbone interact. energy: -0.953 local terms energy: -318.261379 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -71.250 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -77.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1045.446489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.446489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.446489 (E_RNA) where: Base-Base interactions energy: -744.784 where: short stacking energy: -305.374 Base-Backbone interact. energy: -0.190 local terms energy: -300.471815 where: bonds (distance) C4'-P energy: -50.496 bonds (distance) P-C4' energy: -57.595 flat angles C4'-P-C4' energy: -66.308 flat angles P-C4'-P energy: -43.019 tors. eta vs tors. theta energy: -83.054 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: 3, replica: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1001.748982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.748982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.748982 (E_RNA) where: Base-Base interactions energy: -695.082 where: short stacking energy: -296.862 Base-Backbone interact. energy: -1.129 local terms energy: -305.537398 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -82.636 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: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -951.467193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.467193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.467193 (E_RNA) where: Base-Base interactions energy: -678.270 where: short stacking energy: -279.085 Base-Backbone interact. energy: -1.480 local terms energy: -271.717085 where: bonds (distance) C4'-P energy: -57.198 bonds (distance) P-C4' energy: -51.801 flat angles C4'-P-C4' energy: -64.106 flat angles P-C4'-P energy: -26.538 tors. eta vs tors. theta energy: -72.075 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: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -926.328931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.328931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.328931 (E_RNA) where: Base-Base interactions energy: -665.779 where: short stacking energy: -259.633 Base-Backbone interact. energy: 0.291 local terms energy: -260.841053 where: bonds (distance) C4'-P energy: -46.857 bonds (distance) P-C4' energy: -47.464 flat angles C4'-P-C4' energy: -59.956 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: -64.877 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -849.415543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.415543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.415543 (E_RNA) where: Base-Base interactions energy: -573.471 where: short stacking energy: -245.667 Base-Backbone interact. energy: -0.498 local terms energy: -275.446541 where: bonds (distance) C4'-P energy: -52.808 bonds (distance) P-C4' energy: -53.493 flat angles C4'-P-C4' energy: -59.487 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -66.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -764.009135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.009135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.009135 (E_RNA) where: Base-Base interactions energy: -535.713 where: short stacking energy: -237.538 Base-Backbone interact. energy: -0.663 local terms energy: -227.633260 where: bonds (distance) C4'-P energy: -42.047 bonds (distance) P-C4' energy: -39.030 flat angles C4'-P-C4' energy: -54.865 flat angles P-C4'-P energy: -33.705 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: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -573.022790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.022790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.022790 (E_RNA) where: Base-Base interactions energy: -350.708 where: short stacking energy: -163.083 Base-Backbone interact. energy: 0.641 local terms energy: -222.955760 where: bonds (distance) C4'-P energy: -46.753 bonds (distance) P-C4' energy: -43.322 flat angles C4'-P-C4' energy: -56.522 flat angles P-C4'-P energy: -30.796 tors. eta vs tors. theta energy: -45.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -490.480686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.480686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.480686 (E_RNA) where: Base-Base interactions energy: -283.945 where: short stacking energy: -142.642 Base-Backbone interact. energy: 2.621 local terms energy: -209.157205 where: bonds (distance) C4'-P energy: -51.057 bonds (distance) P-C4' energy: -50.449 flat angles C4'-P-C4' energy: -44.995 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: -27.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -443.488485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.488485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.488485 (E_RNA) where: Base-Base interactions energy: -268.786 where: short stacking energy: -133.532 Base-Backbone interact. energy: 0.718 local terms energy: -175.420424 where: bonds (distance) C4'-P energy: -51.586 bonds (distance) P-C4' energy: -40.474 flat angles C4'-P-C4' energy: -40.255 flat angles P-C4'-P energy: -28.444 tors. eta vs tors. theta energy: -14.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1048.575765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.575765 (E_RNA) where: Base-Base interactions energy: -755.817 where: short stacking energy: -298.415 Base-Backbone interact. energy: -1.124 local terms energy: -291.634898 where: bonds (distance) C4'-P energy: -48.943 bonds (distance) P-C4' energy: -55.808 flat angles C4'-P-C4' energy: -60.431 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -77.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1048.784290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.784290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.784290 (E_RNA) where: Base-Base interactions energy: -743.149 where: short stacking energy: -318.237 Base-Backbone interact. energy: -1.322 local terms energy: -304.312714 where: bonds (distance) C4'-P energy: -52.677 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -61.352 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -89.676 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: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1001.534786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.534786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.534786 (E_RNA) where: Base-Base interactions energy: -703.849 where: short stacking energy: -304.531 Base-Backbone interact. energy: -2.012 local terms energy: -295.672867 where: bonds (distance) C4'-P energy: -50.104 bonds (distance) P-C4' energy: -57.652 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -33.234 tors. eta vs tors. theta energy: -90.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -940.590609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.590609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.590609 (E_RNA) where: Base-Base interactions energy: -660.406 where: short stacking energy: -274.703 Base-Backbone interact. energy: 1.756 local terms energy: -281.941110 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -55.904 flat angles C4'-P-C4' energy: -58.537 flat angles P-C4'-P energy: -41.308 tors. eta vs tors. theta energy: -73.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -912.128714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.128714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.128714 (E_RNA) where: Base-Base interactions energy: -645.512 where: short stacking energy: -264.120 Base-Backbone interact. energy: -0.063 local terms energy: -266.553695 where: bonds (distance) C4'-P energy: -51.364 bonds (distance) P-C4' energy: -48.981 flat angles C4'-P-C4' energy: -63.324 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: -66.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -825.410991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.410991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.410991 (E_RNA) where: Base-Base interactions energy: -562.618 where: short stacking energy: -249.800 Base-Backbone interact. energy: -0.021 local terms energy: -262.772465 where: bonds (distance) C4'-P energy: -52.083 bonds (distance) P-C4' energy: -57.186 flat angles C4'-P-C4' energy: -57.945 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -59.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -734.700910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.700910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.700910 (E_RNA) where: Base-Base interactions energy: -493.425 where: short stacking energy: -230.948 Base-Backbone interact. energy: 0.595 local terms energy: -241.871246 where: bonds (distance) C4'-P energy: -38.292 bonds (distance) P-C4' energy: -47.504 flat angles C4'-P-C4' energy: -52.527 flat angles P-C4'-P energy: -33.378 tors. eta vs tors. theta energy: -70.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -638.943706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.943706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.943706 (E_RNA) where: Base-Base interactions energy: -431.122 where: short stacking energy: -185.923 Base-Backbone interact. energy: -0.118 local terms energy: -207.703318 where: bonds (distance) C4'-P energy: -51.046 bonds (distance) P-C4' energy: -49.041 flat angles C4'-P-C4' energy: -49.634 flat angles P-C4'-P energy: -20.227 tors. eta vs tors. theta energy: -37.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -512.001395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.001395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.001395 (E_RNA) where: Base-Base interactions energy: -322.160 where: short stacking energy: -159.007 Base-Backbone interact. energy: -0.420 local terms energy: -189.421132 where: bonds (distance) C4'-P energy: -44.621 bonds (distance) P-C4' energy: -48.101 flat angles C4'-P-C4' energy: -45.210 flat angles P-C4'-P energy: -34.117 tors. eta vs tors. theta energy: -17.373 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: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -434.646448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.646448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.646448 (E_RNA) where: Base-Base interactions energy: -268.555 where: short stacking energy: -136.136 Base-Backbone interact. energy: 0.874 local terms energy: -166.965458 where: bonds (distance) C4'-P energy: -41.939 bonds (distance) P-C4' energy: -40.195 flat angles C4'-P-C4' energy: -41.814 flat angles P-C4'-P energy: -22.703 tors. eta vs tors. theta energy: -20.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1051.159484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.159484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.159484 (E_RNA) where: Base-Base interactions energy: -747.413 where: short stacking energy: -308.321 Base-Backbone interact. energy: -0.980 local terms energy: -302.766738 where: bonds (distance) C4'-P energy: -67.215 bonds (distance) P-C4' energy: -52.473 flat angles C4'-P-C4' energy: -67.464 flat angles P-C4'-P energy: -30.979 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: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1063.380541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.380541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.380541 (E_RNA) where: Base-Base interactions energy: -758.379 where: short stacking energy: -312.742 Base-Backbone interact. energy: -0.867 local terms energy: -304.134386 where: bonds (distance) C4'-P energy: -50.816 bonds (distance) P-C4' energy: -54.315 flat angles C4'-P-C4' energy: -68.569 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -88.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -986.948388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.948388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.948388 (E_RNA) where: Base-Base interactions energy: -689.890 where: short stacking energy: -293.452 Base-Backbone interact. energy: -1.227 local terms energy: -295.831308 where: bonds (distance) C4'-P energy: -51.716 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -39.819 tors. eta vs tors. theta energy: -82.646 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: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -950.574978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.574978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.574978 (E_RNA) where: Base-Base interactions energy: -686.705 where: short stacking energy: -294.472 Base-Backbone interact. energy: -0.261 local terms energy: -263.608756 where: bonds (distance) C4'-P energy: -57.889 bonds (distance) P-C4' energy: -42.357 flat angles C4'-P-C4' energy: -60.881 flat angles P-C4'-P energy: -28.796 tors. eta vs tors. theta energy: -73.686 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: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -946.276891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.276891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.276891 (E_RNA) where: Base-Base interactions energy: -659.002 where: short stacking energy: -271.621 Base-Backbone interact. energy: -1.103 local terms energy: -286.171918 where: bonds (distance) C4'-P energy: -43.889 bonds (distance) P-C4' energy: -51.315 flat angles C4'-P-C4' energy: -62.532 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: -81.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -804.140325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.140325 (E_RNA) where: Base-Base interactions energy: -540.541 where: short stacking energy: -232.658 Base-Backbone interact. energy: -1.798 local terms energy: -261.800997 where: bonds (distance) C4'-P energy: -46.761 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -57.318 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: -61.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -744.119060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.119060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.119060 (E_RNA) where: Base-Base interactions energy: -510.555 where: short stacking energy: -229.541 Base-Backbone interact. energy: -0.827 local terms energy: -232.737017 where: bonds (distance) C4'-P energy: -35.883 bonds (distance) P-C4' energy: -40.835 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -26.478 tors. eta vs tors. theta energy: -67.104 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: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -643.037053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.037053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.037053 (E_RNA) where: Base-Base interactions energy: -404.591 where: short stacking energy: -198.054 Base-Backbone interact. energy: -1.496 local terms energy: -236.949814 where: bonds (distance) C4'-P energy: -46.797 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -58.028 flat angles P-C4'-P energy: -29.721 tors. eta vs tors. theta energy: -42.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -459.083713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.083713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.083713 (E_RNA) where: Base-Base interactions energy: -275.527 where: short stacking energy: -125.186 Base-Backbone interact. energy: -1.535 local terms energy: -182.022071 where: bonds (distance) C4'-P energy: -47.958 bonds (distance) P-C4' energy: -50.542 flat angles C4'-P-C4' energy: -53.981 flat angles P-C4'-P energy: -23.976 tors. eta vs tors. theta energy: -5.565 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: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -441.754651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.754651 (E_RNA) where: Base-Base interactions energy: -262.695 where: short stacking energy: -130.141 Base-Backbone interact. energy: -1.951 local terms energy: -177.108809 where: bonds (distance) C4'-P energy: -41.771 bonds (distance) P-C4' energy: -45.735 flat angles C4'-P-C4' energy: -39.850 flat angles P-C4'-P energy: -33.127 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1047.010773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.010773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.010773 (E_RNA) where: Base-Base interactions energy: -740.937 where: short stacking energy: -292.268 Base-Backbone interact. energy: -1.473 local terms energy: -304.600364 where: bonds (distance) C4'-P energy: -53.959 bonds (distance) P-C4' energy: -56.072 flat angles C4'-P-C4' energy: -70.480 flat angles P-C4'-P energy: -38.316 tors. eta vs tors. theta energy: -85.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1067.461584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.461584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.461584 (E_RNA) where: Base-Base interactions energy: -745.017 where: short stacking energy: -307.324 Base-Backbone interact. energy: 1.471 local terms energy: -323.915639 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -63.731 flat angles C4'-P-C4' energy: -63.770 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -93.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -969.640336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.640336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.640336 (E_RNA) where: Base-Base interactions energy: -678.841 where: short stacking energy: -276.559 Base-Backbone interact. energy: -0.111 local terms energy: -290.687571 where: bonds (distance) C4'-P energy: -57.218 bonds (distance) P-C4' energy: -52.509 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -70.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -960.119941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.119941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.119941 (E_RNA) where: Base-Base interactions energy: -651.081 where: short stacking energy: -286.529 Base-Backbone interact. energy: -1.027 local terms energy: -308.011929 where: bonds (distance) C4'-P energy: -58.888 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -84.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -927.723904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.723904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.723904 (E_RNA) where: Base-Base interactions energy: -639.520 where: short stacking energy: -263.741 Base-Backbone interact. energy: -0.763 local terms energy: -287.440656 where: bonds (distance) C4'-P energy: -52.681 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -60.460 flat angles P-C4'-P energy: -43.041 tors. eta vs tors. theta energy: -75.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -794.941134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.941134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.941134 (E_RNA) where: Base-Base interactions energy: -563.751 where: short stacking energy: -242.053 Base-Backbone interact. energy: -0.241 local terms energy: -230.948893 where: bonds (distance) C4'-P energy: -35.141 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -43.273 flat angles P-C4'-P energy: -34.417 tors. eta vs tors. theta energy: -64.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -740.726352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.726352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.726352 (E_RNA) where: Base-Base interactions energy: -502.981 where: short stacking energy: -222.443 Base-Backbone interact. energy: -0.291 local terms energy: -237.454216 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -53.569 flat angles C4'-P-C4' energy: -50.570 flat angles P-C4'-P energy: -33.441 tors. eta vs tors. theta energy: -47.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -657.392573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.392573 (E_RNA) where: Base-Base interactions energy: -419.060 where: short stacking energy: -196.729 Base-Backbone interact. energy: -0.457 local terms energy: -237.875510 where: bonds (distance) C4'-P energy: -45.989 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -50.634 flat angles P-C4'-P energy: -33.136 tors. eta vs tors. theta energy: -47.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -468.282212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.282212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.282212 (E_RNA) where: Base-Base interactions energy: -296.530 where: short stacking energy: -155.088 Base-Backbone interact. energy: 0.256 local terms energy: -172.008416 where: bonds (distance) C4'-P energy: -33.407 bonds (distance) P-C4' energy: -55.628 flat angles C4'-P-C4' energy: -41.651 flat angles P-C4'-P energy: -13.413 tors. eta vs tors. theta energy: -27.909 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: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -450.932159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.932159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.932159 (E_RNA) where: Base-Base interactions energy: -278.001 where: short stacking energy: -145.846 Base-Backbone interact. energy: -1.052 local terms energy: -171.879146 where: bonds (distance) C4'-P energy: -43.574 bonds (distance) P-C4' energy: -46.333 flat angles C4'-P-C4' energy: -40.381 flat angles P-C4'-P energy: -19.765 tors. eta vs tors. theta energy: -21.825 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: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1034.438126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.438126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.438126 (E_RNA) where: Base-Base interactions energy: -738.931 where: short stacking energy: -290.071 Base-Backbone interact. energy: -0.602 local terms energy: -294.905257 where: bonds (distance) C4'-P energy: -57.294 bonds (distance) P-C4' energy: -58.442 flat angles C4'-P-C4' energy: -69.742 flat angles P-C4'-P energy: -31.990 tors. eta vs tors. theta energy: -77.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1063.068638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.068638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.068638 (E_RNA) where: Base-Base interactions energy: -746.591 where: short stacking energy: -304.993 Base-Backbone interact. energy: 3.495 local terms energy: -319.972251 where: bonds (distance) C4'-P energy: -54.926 bonds (distance) P-C4' energy: -53.280 flat angles C4'-P-C4' energy: -67.278 flat angles P-C4'-P energy: -46.247 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: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -968.522424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.522424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.522424 (E_RNA) where: Base-Base interactions energy: -663.864 where: short stacking energy: -275.437 Base-Backbone interact. energy: -0.295 local terms energy: -304.363358 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -58.317 flat angles C4'-P-C4' energy: -58.482 flat angles P-C4'-P energy: -44.605 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: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -945.342951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.342951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.342951 (E_RNA) where: Base-Base interactions energy: -650.237 where: short stacking energy: -274.403 Base-Backbone interact. energy: 1.401 local terms energy: -296.506332 where: bonds (distance) C4'-P energy: -54.804 bonds (distance) P-C4' energy: -52.001 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -77.951 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: 391 Temperature: 1.100000 Total energy: -907.916095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.916095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.916095 (E_RNA) where: Base-Base interactions energy: -620.528 where: short stacking energy: -261.608 Base-Backbone interact. energy: -2.462 local terms energy: -284.926732 where: bonds (distance) C4'-P energy: -52.840 bonds (distance) P-C4' energy: -47.938 flat angles C4'-P-C4' energy: -63.628 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -75.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -822.640732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.640732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.640732 (E_RNA) where: Base-Base interactions energy: -563.479 where: short stacking energy: -224.909 Base-Backbone interact. energy: -1.595 local terms energy: -257.567426 where: bonds (distance) C4'-P energy: -56.089 bonds (distance) P-C4' energy: -43.945 flat angles C4'-P-C4' energy: -56.249 flat angles P-C4'-P energy: -36.813 tors. eta vs tors. theta energy: -64.472 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: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -754.442470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.442470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.442470 (E_RNA) where: Base-Base interactions energy: -510.842 where: short stacking energy: -221.521 Base-Backbone interact. energy: -1.089 local terms energy: -242.511379 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -51.535 flat angles C4'-P-C4' energy: -51.996 flat angles P-C4'-P energy: -29.547 tors. eta vs tors. theta energy: -60.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -651.532818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.532818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.532818 (E_RNA) where: Base-Base interactions energy: -426.012 where: short stacking energy: -191.423 Base-Backbone interact. energy: -1.155 local terms energy: -224.366096 where: bonds (distance) C4'-P energy: -48.871 bonds (distance) P-C4' energy: -50.200 flat angles C4'-P-C4' energy: -43.049 flat angles P-C4'-P energy: -32.898 tors. eta vs tors. theta energy: -49.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -447.688480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.688480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.688480 (E_RNA) where: Base-Base interactions energy: -268.166 where: short stacking energy: -131.470 Base-Backbone interact. energy: -0.902 local terms energy: -178.620849 where: bonds (distance) C4'-P energy: -43.798 bonds (distance) P-C4' energy: -45.395 flat angles C4'-P-C4' energy: -47.296 flat angles P-C4'-P energy: -27.780 tors. eta vs tors. theta energy: -14.351 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: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -426.450863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.450863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.450863 (E_RNA) where: Base-Base interactions energy: -239.053 where: short stacking energy: -124.545 Base-Backbone interact. energy: -0.895 local terms energy: -186.502138 where: bonds (distance) C4'-P energy: -48.167 bonds (distance) P-C4' energy: -43.045 flat angles C4'-P-C4' energy: -57.355 flat angles P-C4'-P energy: -13.503 tors. eta vs tors. theta energy: -24.432 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1060.961226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.961226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.961226 (E_RNA) where: Base-Base interactions energy: -752.567 where: short stacking energy: -305.815 Base-Backbone interact. energy: 2.443 local terms energy: -310.837519 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -57.292 flat angles C4'-P-C4' energy: -70.697 flat angles P-C4'-P energy: -39.377 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: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1028.244574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.244574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.244574 (E_RNA) where: Base-Base interactions energy: -721.284 where: short stacking energy: -289.371 Base-Backbone interact. energy: -1.465 local terms energy: -305.495740 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -64.890 flat angles C4'-P-C4' energy: -62.640 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -76.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -990.068774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.068774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.068774 (E_RNA) where: Base-Base interactions energy: -683.611 where: short stacking energy: -294.344 Base-Backbone interact. energy: -0.911 local terms energy: -305.546912 where: bonds (distance) C4'-P energy: -46.551 bonds (distance) P-C4' energy: -62.958 flat angles C4'-P-C4' energy: -67.728 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -81.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -950.359572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.359572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.359572 (E_RNA) where: Base-Base interactions energy: -681.340 where: short stacking energy: -272.093 Base-Backbone interact. energy: -0.967 local terms energy: -268.052631 where: bonds (distance) C4'-P energy: -46.548 bonds (distance) P-C4' energy: -54.757 flat angles C4'-P-C4' energy: -59.765 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: -68.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -854.829262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.829262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.829262 (E_RNA) where: Base-Base interactions energy: -573.500 where: short stacking energy: -262.767 Base-Backbone interact. energy: -2.042 local terms energy: -279.287256 where: bonds (distance) C4'-P energy: -53.429 bonds (distance) P-C4' energy: -48.586 flat angles C4'-P-C4' energy: -62.438 flat angles P-C4'-P energy: -38.567 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: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -901.722430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.722430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.722430 (E_RNA) where: Base-Base interactions energy: -614.253 where: short stacking energy: -246.070 Base-Backbone interact. energy: -1.920 local terms energy: -285.549338 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -59.113 flat angles C4'-P-C4' energy: -65.834 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -65.392 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: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -753.185317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.185317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.185317 (E_RNA) where: Base-Base interactions energy: -514.150 where: short stacking energy: -224.220 Base-Backbone interact. energy: -0.057 local terms energy: -238.977796 where: bonds (distance) C4'-P energy: -46.049 bonds (distance) P-C4' energy: -53.428 flat angles C4'-P-C4' energy: -50.539 flat angles P-C4'-P energy: -29.955 tors. eta vs tors. theta energy: -59.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -655.252047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.252047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.252047 (E_RNA) where: Base-Base interactions energy: -412.690 where: short stacking energy: -183.864 Base-Backbone interact. energy: 0.320 local terms energy: -242.881217 where: bonds (distance) C4'-P energy: -44.199 bonds (distance) P-C4' energy: -59.395 flat angles C4'-P-C4' energy: -47.057 flat angles P-C4'-P energy: -33.554 tors. eta vs tors. theta energy: -58.676 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -419.598237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.598237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.598237 (E_RNA) where: Base-Base interactions energy: -241.272 where: short stacking energy: -133.142 Base-Backbone interact. energy: 1.246 local terms energy: -179.572150 where: bonds (distance) C4'-P energy: -48.566 bonds (distance) P-C4' energy: -55.674 flat angles C4'-P-C4' energy: -41.949 flat angles P-C4'-P energy: -16.302 tors. eta vs tors. theta energy: -17.082 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: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -427.902690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.902690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.902690 (E_RNA) where: Base-Base interactions energy: -259.204 where: short stacking energy: -107.161 Base-Backbone interact. energy: -0.295 local terms energy: -168.403730 where: bonds (distance) C4'-P energy: -34.128 bonds (distance) P-C4' energy: -53.793 flat angles C4'-P-C4' energy: -42.813 flat angles P-C4'-P energy: -30.419 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1072.442446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.442446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.442446 (E_RNA) where: Base-Base interactions energy: -762.054 where: short stacking energy: -313.155 Base-Backbone interact. energy: -0.551 local terms energy: -309.837779 where: bonds (distance) C4'-P energy: -54.604 bonds (distance) P-C4' energy: -60.351 flat angles C4'-P-C4' energy: -65.053 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -83.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1033.833185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.833185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.833185 (E_RNA) where: Base-Base interactions energy: -729.302 where: short stacking energy: -297.119 Base-Backbone interact. energy: -1.562 local terms energy: -302.969762 where: bonds (distance) C4'-P energy: -60.855 bonds (distance) P-C4' energy: -58.222 flat angles C4'-P-C4' energy: -65.279 flat angles P-C4'-P energy: -38.744 tors. eta vs tors. theta energy: -79.869 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -956.517449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.517449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.517449 (E_RNA) where: Base-Base interactions energy: -665.518 where: short stacking energy: -285.212 Base-Backbone interact. energy: -0.724 local terms energy: -290.275552 where: bonds (distance) C4'-P energy: -49.676 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -66.691 flat angles P-C4'-P energy: -35.050 tors. eta vs tors. theta energy: -78.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -976.318889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.318889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.318889 (E_RNA) where: Base-Base interactions energy: -694.995 where: short stacking energy: -295.032 Base-Backbone interact. energy: -2.033 local terms energy: -279.290808 where: bonds (distance) C4'-P energy: -54.526 bonds (distance) P-C4' energy: -53.891 flat angles C4'-P-C4' energy: -56.853 flat angles P-C4'-P energy: -39.360 tors. eta vs tors. theta energy: -74.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -850.560920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.560920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.560920 (E_RNA) where: Base-Base interactions energy: -593.170 where: short stacking energy: -241.687 Base-Backbone interact. energy: -0.577 local terms energy: -256.813548 where: bonds (distance) C4'-P energy: -49.182 bonds (distance) P-C4' energy: -53.877 flat angles C4'-P-C4' energy: -54.808 flat angles P-C4'-P energy: -35.588 tors. eta vs tors. theta energy: -63.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -876.237590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.237590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.237590 (E_RNA) where: Base-Base interactions energy: -603.404 where: short stacking energy: -257.245 Base-Backbone interact. energy: -0.977 local terms energy: -271.856472 where: bonds (distance) C4'-P energy: -52.722 bonds (distance) P-C4' energy: -45.531 flat angles C4'-P-C4' energy: -60.028 flat angles P-C4'-P energy: -40.805 tors. eta vs tors. theta energy: -72.771 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: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -778.678691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.678691 (E_RNA) where: Base-Base interactions energy: -525.051 where: short stacking energy: -242.398 Base-Backbone interact. energy: -1.695 local terms energy: -251.933277 where: bonds (distance) C4'-P energy: -35.117 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -57.860 flat angles P-C4'-P energy: -41.959 tors. eta vs tors. theta energy: -61.215 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: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -677.111770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.111770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.111770 (E_RNA) where: Base-Base interactions energy: -442.000 where: short stacking energy: -209.294 Base-Backbone interact. energy: 0.059 local terms energy: -235.171315 where: bonds (distance) C4'-P energy: -44.529 bonds (distance) P-C4' energy: -47.946 flat angles C4'-P-C4' energy: -53.722 flat angles P-C4'-P energy: -29.555 tors. eta vs tors. theta energy: -59.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -446.775789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.775789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.775789 (E_RNA) where: Base-Base interactions energy: -260.071 where: short stacking energy: -120.959 Base-Backbone interact. energy: 1.581 local terms energy: -188.286205 where: bonds (distance) C4'-P energy: -50.248 bonds (distance) P-C4' energy: -42.896 flat angles C4'-P-C4' energy: -52.326 flat angles P-C4'-P energy: -28.062 tors. eta vs tors. theta energy: -14.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -424.878273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.878273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.878273 (E_RNA) where: Base-Base interactions energy: -252.677 where: short stacking energy: -115.770 Base-Backbone interact. energy: 1.248 local terms energy: -173.449015 where: bonds (distance) C4'-P energy: -44.560 bonds (distance) P-C4' energy: -52.626 flat angles C4'-P-C4' energy: -53.011 flat angles P-C4'-P energy: -25.249 tors. eta vs tors. theta energy: 1.998 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: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1082.371403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.371403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.371403 (E_RNA) where: Base-Base interactions energy: -779.061 where: short stacking energy: -313.233 Base-Backbone interact. energy: -1.201 local terms energy: -302.108916 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -50.823 flat angles C4'-P-C4' energy: -65.595 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -84.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1027.093071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.093071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.093071 (E_RNA) where: Base-Base interactions energy: -742.416 where: short stacking energy: -300.270 Base-Backbone interact. energy: 0.615 local terms energy: -285.292761 where: bonds (distance) C4'-P energy: -45.216 bonds (distance) P-C4' energy: -48.063 flat angles C4'-P-C4' energy: -66.944 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: -81.297 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: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -984.082356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.082356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.082356 (E_RNA) where: Base-Base interactions energy: -691.142 where: short stacking energy: -292.533 Base-Backbone interact. energy: -1.436 local terms energy: -291.504589 where: bonds (distance) C4'-P energy: -55.836 bonds (distance) P-C4' energy: -54.471 flat angles C4'-P-C4' energy: -59.474 flat angles P-C4'-P energy: -38.534 tors. eta vs tors. theta energy: -83.190 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -932.761140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.761140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.761140 (E_RNA) where: Base-Base interactions energy: -631.042 where: short stacking energy: -268.208 Base-Backbone interact. energy: -1.806 local terms energy: -299.913946 where: bonds (distance) C4'-P energy: -52.889 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -61.242 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -80.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -900.789904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.789904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.789904 (E_RNA) where: Base-Base interactions energy: -627.554 where: short stacking energy: -261.010 Base-Backbone interact. energy: -2.411 local terms energy: -270.825168 where: bonds (distance) C4'-P energy: -41.959 bonds (distance) P-C4' energy: -58.502 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -67.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -837.335595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.335595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.335595 (E_RNA) where: Base-Base interactions energy: -568.266 where: short stacking energy: -250.455 Base-Backbone interact. energy: -0.979 local terms energy: -268.091029 where: bonds (distance) C4'-P energy: -46.269 bonds (distance) P-C4' energy: -52.643 flat angles C4'-P-C4' energy: -59.141 flat angles P-C4'-P energy: -41.536 tors. eta vs tors. theta energy: -68.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -749.878278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.878278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.878278 (E_RNA) where: Base-Base interactions energy: -503.971 where: short stacking energy: -222.367 Base-Backbone interact. energy: -0.093 local terms energy: -245.813907 where: bonds (distance) C4'-P energy: -42.971 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -38.357 tors. eta vs tors. theta energy: -55.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -682.961545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.961545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.961545 (E_RNA) where: Base-Base interactions energy: -454.471 where: short stacking energy: -219.532 Base-Backbone interact. energy: -0.631 local terms energy: -227.859736 where: bonds (distance) C4'-P energy: -46.542 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -41.761 flat angles P-C4'-P energy: -29.648 tors. eta vs tors. theta energy: -45.080 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -459.633488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.633488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.633488 (E_RNA) where: Base-Base interactions energy: -276.170 where: short stacking energy: -123.852 Base-Backbone interact. energy: -3.256 local terms energy: -180.206984 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -41.723 flat angles C4'-P-C4' energy: -47.191 flat angles P-C4'-P energy: -28.793 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -381.299803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.299803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.299803 (E_RNA) where: Base-Base interactions energy: -206.007 where: short stacking energy: -103.249 Base-Backbone interact. energy: -0.268 local terms energy: -175.025604 where: bonds (distance) C4'-P energy: -35.041 bonds (distance) P-C4' energy: -52.593 flat angles C4'-P-C4' energy: -41.622 flat angles P-C4'-P energy: -30.456 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1086.291394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.291394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.291394 (E_RNA) where: Base-Base interactions energy: -777.939 where: short stacking energy: -319.843 Base-Backbone interact. energy: 1.186 local terms energy: -309.537955 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: -85.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1048.010607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.010607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.010607 (E_RNA) where: Base-Base interactions energy: -754.704 where: short stacking energy: -298.547 Base-Backbone interact. energy: -0.018 local terms energy: -293.287890 where: bonds (distance) C4'-P energy: -60.059 bonds (distance) P-C4' energy: -60.157 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -33.696 tors. eta vs tors. theta energy: -79.490 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: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -994.599936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.599936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.599936 (E_RNA) where: Base-Base interactions energy: -698.387 where: short stacking energy: -298.523 Base-Backbone interact. energy: -0.612 local terms energy: -295.600612 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -45.074 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: -81.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -941.002399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.002399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.002399 (E_RNA) where: Base-Base interactions energy: -659.742 where: short stacking energy: -281.137 Base-Backbone interact. energy: -0.654 local terms energy: -280.606271 where: bonds (distance) C4'-P energy: -50.260 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -77.125 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: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -898.506313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.506313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.506313 (E_RNA) where: Base-Base interactions energy: -604.491 where: short stacking energy: -258.884 Base-Backbone interact. energy: -0.043 local terms energy: -293.972196 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -59.259 flat angles P-C4'-P energy: -39.322 tors. eta vs tors. theta energy: -73.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -855.915098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.915098 (E_RNA) where: Base-Base interactions energy: -594.740 where: short stacking energy: -252.623 Base-Backbone interact. energy: -1.219 local terms energy: -259.956075 where: bonds (distance) C4'-P energy: -37.785 bonds (distance) P-C4' energy: -51.325 flat angles C4'-P-C4' energy: -57.353 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -70.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -731.189821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.189821 (E_RNA) where: Base-Base interactions energy: -503.167 where: short stacking energy: -204.980 Base-Backbone interact. energy: -0.688 local terms energy: -227.334372 where: bonds (distance) C4'-P energy: -35.339 bonds (distance) P-C4' energy: -54.275 flat angles C4'-P-C4' energy: -55.827 flat angles P-C4'-P energy: -36.118 tors. eta vs tors. theta energy: -45.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -670.169455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.169455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.169455 (E_RNA) where: Base-Base interactions energy: -436.004 where: short stacking energy: -212.819 Base-Backbone interact. energy: -0.470 local terms energy: -233.695392 where: bonds (distance) C4'-P energy: -43.065 bonds (distance) P-C4' energy: -50.954 flat angles C4'-P-C4' energy: -52.120 flat angles P-C4'-P energy: -33.360 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: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -452.921990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.921990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.921990 (E_RNA) where: Base-Base interactions energy: -253.141 where: short stacking energy: -104.911 Base-Backbone interact. energy: -1.316 local terms energy: -198.465255 where: bonds (distance) C4'-P energy: -46.461 bonds (distance) P-C4' energy: -59.476 flat angles C4'-P-C4' energy: -48.501 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -400.819643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.819643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.819643 (E_RNA) where: Base-Base interactions energy: -222.280 where: short stacking energy: -120.890 Base-Backbone interact. energy: -2.038 local terms energy: -176.501723 where: bonds (distance) C4'-P energy: -46.657 bonds (distance) P-C4' energy: -48.461 flat angles C4'-P-C4' energy: -45.335 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1081.227440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.227440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.227440 (E_RNA) where: Base-Base interactions energy: -772.169 where: short stacking energy: -301.646 Base-Backbone interact. energy: -1.546 local terms energy: -307.512256 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -55.956 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -45.501 tors. eta vs tors. theta energy: -84.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1035.678570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.678570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.678570 (E_RNA) where: Base-Base interactions energy: -749.126 where: short stacking energy: -298.432 Base-Backbone interact. energy: -0.503 local terms energy: -286.049826 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -52.974 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -30.212 tors. eta vs tors. theta energy: -84.744 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: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -993.247640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.247640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.247640 (E_RNA) where: Base-Base interactions energy: -698.339 where: short stacking energy: -309.666 Base-Backbone interact. energy: -1.346 local terms energy: -293.562595 where: bonds (distance) C4'-P energy: -47.988 bonds (distance) P-C4' energy: -51.939 flat angles C4'-P-C4' energy: -68.045 flat angles P-C4'-P energy: -42.318 tors. eta vs tors. theta energy: -83.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -934.848425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.848425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.848425 (E_RNA) where: Base-Base interactions energy: -659.997 where: short stacking energy: -286.594 Base-Backbone interact. energy: -0.992 local terms energy: -273.859506 where: bonds (distance) C4'-P energy: -44.538 bonds (distance) P-C4' energy: -56.205 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: -76.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -865.322203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.322203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.322203 (E_RNA) where: Base-Base interactions energy: -604.474 where: short stacking energy: -258.849 Base-Backbone interact. energy: 0.235 local terms energy: -261.082583 where: bonds (distance) C4'-P energy: -57.503 bonds (distance) P-C4' energy: -63.510 flat angles C4'-P-C4' energy: -50.138 flat angles P-C4'-P energy: -32.224 tors. eta vs tors. theta energy: -57.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -859.499190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.499190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.499190 (E_RNA) where: Base-Base interactions energy: -594.889 where: short stacking energy: -241.760 Base-Backbone interact. energy: -1.823 local terms energy: -262.787183 where: bonds (distance) C4'-P energy: -50.774 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -59.737 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -61.741 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: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -740.086648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.086648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.086648 (E_RNA) where: Base-Base interactions energy: -493.838 where: short stacking energy: -215.831 Base-Backbone interact. energy: 0.444 local terms energy: -246.692214 where: bonds (distance) C4'-P energy: -51.927 bonds (distance) P-C4' energy: -43.351 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -30.708 tors. eta vs tors. theta energy: -55.990 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: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -650.109683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.109683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.109683 (E_RNA) where: Base-Base interactions energy: -432.309 where: short stacking energy: -183.881 Base-Backbone interact. energy: 0.415 local terms energy: -218.215409 where: bonds (distance) C4'-P energy: -39.782 bonds (distance) P-C4' energy: -51.173 flat angles C4'-P-C4' energy: -56.606 flat angles P-C4'-P energy: -32.064 tors. eta vs tors. theta energy: -38.591 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: 396 Temperature: 1.300000 Total energy: -447.173977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.173977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.173977 (E_RNA) where: Base-Base interactions energy: -287.234 where: short stacking energy: -127.343 Base-Backbone interact. energy: -2.061 local terms energy: -157.879593 where: bonds (distance) C4'-P energy: -40.618 bonds (distance) P-C4' energy: -44.813 flat angles C4'-P-C4' energy: -43.367 flat angles P-C4'-P energy: -23.504 tors. eta vs tors. theta energy: -5.577 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: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -400.051312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.051312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.051312 (E_RNA) where: Base-Base interactions energy: -223.973 where: short stacking energy: -114.677 Base-Backbone interact. energy: 0.434 local terms energy: -176.512731 where: bonds (distance) C4'-P energy: -58.321 bonds (distance) P-C4' energy: -55.714 flat angles C4'-P-C4' energy: -30.543 flat angles P-C4'-P energy: -20.492 tors. eta vs tors. theta energy: -11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1083.164776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.164776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.164776 (E_RNA) where: Base-Base interactions energy: -752.986 where: short stacking energy: -314.902 Base-Backbone interact. energy: -0.222 local terms energy: -329.956871 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -64.829 flat angles C4'-P-C4' energy: -67.740 flat angles P-C4'-P energy: -48.371 tors. eta vs tors. theta energy: -91.464 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: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1035.641268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.641268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.641268 (E_RNA) where: Base-Base interactions energy: -734.282 where: short stacking energy: -287.339 Base-Backbone interact. energy: -1.569 local terms energy: -299.790169 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -43.403 tors. eta vs tors. theta energy: -77.773 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: 397 Temperature: 1.000000 Total energy: -1001.907333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.907333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.907333 (E_RNA) where: Base-Base interactions energy: -707.844 where: short stacking energy: -298.671 Base-Backbone interact. energy: 0.657 local terms energy: -294.720236 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -59.555 flat angles C4'-P-C4' energy: -62.581 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -80.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -898.243860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.243860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.243860 (E_RNA) where: Base-Base interactions energy: -616.332 where: short stacking energy: -256.481 Base-Backbone interact. energy: -0.618 local terms energy: -281.294437 where: bonds (distance) C4'-P energy: -46.624 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -68.323 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: -68.410 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -928.344497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.344497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.344497 (E_RNA) where: Base-Base interactions energy: -642.372 where: short stacking energy: -270.110 Base-Backbone interact. energy: -0.082 local terms energy: -285.890440 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -56.118 flat angles C4'-P-C4' energy: -62.855 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -75.671 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: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -843.692381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.692381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.692381 (E_RNA) where: Base-Base interactions energy: -602.415 where: short stacking energy: -235.480 Base-Backbone interact. energy: 3.752 local terms energy: -245.030043 where: bonds (distance) C4'-P energy: -49.982 bonds (distance) P-C4' energy: -50.021 flat angles C4'-P-C4' energy: -53.419 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -52.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -753.875358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.875358 (E_RNA) where: Base-Base interactions energy: -513.373 where: short stacking energy: -224.690 Base-Backbone interact. energy: -1.533 local terms energy: -238.969392 where: bonds (distance) C4'-P energy: -51.424 bonds (distance) P-C4' energy: -48.847 flat angles C4'-P-C4' energy: -50.872 flat angles P-C4'-P energy: -29.438 tors. eta vs tors. theta energy: -58.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -631.935453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.935453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.935453 (E_RNA) where: Base-Base interactions energy: -405.586 where: short stacking energy: -185.401 Base-Backbone interact. energy: -1.001 local terms energy: -225.348838 where: bonds (distance) C4'-P energy: -34.555 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -55.101 flat angles P-C4'-P energy: -34.763 tors. eta vs tors. theta energy: -54.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -484.405668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.405668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.405668 (E_RNA) where: Base-Base interactions energy: -287.658 where: short stacking energy: -151.924 Base-Backbone interact. energy: -1.099 local terms energy: -195.648500 where: bonds (distance) C4'-P energy: -41.766 bonds (distance) P-C4' energy: -59.139 flat angles C4'-P-C4' energy: -38.911 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -20.492 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: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -385.809633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.809633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.809633 (E_RNA) where: Base-Base interactions energy: -202.455 where: short stacking energy: -99.286 Base-Backbone interact. energy: -0.885 local terms energy: -182.469604 where: bonds (distance) C4'-P energy: -48.932 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -44.093 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: 1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1086.019936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.019936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.019936 (E_RNA) where: Base-Base interactions energy: -768.308 where: short stacking energy: -300.852 Base-Backbone interact. energy: -0.482 local terms energy: -317.230295 where: bonds (distance) C4'-P energy: -57.931 bonds (distance) P-C4' energy: -60.376 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -86.681 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: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1026.252657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.252657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.252657 (E_RNA) where: Base-Base interactions energy: -715.993 where: short stacking energy: -291.662 Base-Backbone interact. energy: -1.974 local terms energy: -308.286059 where: bonds (distance) C4'-P energy: -62.101 bonds (distance) P-C4' energy: -61.921 flat angles C4'-P-C4' energy: -61.092 flat angles P-C4'-P energy: -43.409 tors. eta vs tors. theta energy: -79.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -978.153552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.153552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.153552 (E_RNA) where: Base-Base interactions energy: -706.614 where: short stacking energy: -289.942 Base-Backbone interact. energy: -1.238 local terms energy: -270.301232 where: bonds (distance) C4'-P energy: -47.428 bonds (distance) P-C4' energy: -50.100 flat angles C4'-P-C4' energy: -60.752 flat angles P-C4'-P energy: -32.952 tors. eta vs tors. theta energy: -79.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -972.427231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.427231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.427231 (E_RNA) where: Base-Base interactions energy: -701.263 where: short stacking energy: -284.475 Base-Backbone interact. energy: -0.539 local terms energy: -270.625443 where: bonds (distance) C4'-P energy: -46.337 bonds (distance) P-C4' energy: -38.510 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -76.243 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: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -903.530749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.530749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.530749 (E_RNA) where: Base-Base interactions energy: -632.955 where: short stacking energy: -265.856 Base-Backbone interact. energy: -1.399 local terms energy: -269.177207 where: bonds (distance) C4'-P energy: -49.133 bonds (distance) P-C4' energy: -50.478 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: -76.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -889.362179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.362179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.362179 (E_RNA) where: Base-Base interactions energy: -612.039 where: short stacking energy: -241.879 Base-Backbone interact. energy: -3.649 local terms energy: -273.673700 where: bonds (distance) C4'-P energy: -52.249 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -52.577 flat angles P-C4'-P energy: -43.438 tors. eta vs tors. theta energy: -65.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -744.680702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.680702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.680702 (E_RNA) where: Base-Base interactions energy: -498.042 where: short stacking energy: -219.590 Base-Backbone interact. energy: 0.629 local terms energy: -247.267286 where: bonds (distance) C4'-P energy: -46.277 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -47.222 flat angles P-C4'-P energy: -38.435 tors. eta vs tors. theta energy: -58.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -629.550391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.550391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.550391 (E_RNA) where: Base-Base interactions energy: -400.196 where: short stacking energy: -188.384 Base-Backbone interact. energy: -2.248 local terms energy: -227.106070 where: bonds (distance) C4'-P energy: -36.702 bonds (distance) P-C4' energy: -58.698 flat angles C4'-P-C4' energy: -52.989 flat angles P-C4'-P energy: -32.396 tors. eta vs tors. theta energy: -46.321 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: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -520.665184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.665184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.665184 (E_RNA) where: Base-Base interactions energy: -322.334 where: short stacking energy: -161.310 Base-Backbone interact. energy: -1.094 local terms energy: -197.237571 where: bonds (distance) C4'-P energy: -52.811 bonds (distance) P-C4' energy: -48.565 flat angles C4'-P-C4' energy: -46.577 flat angles P-C4'-P energy: -28.518 tors. eta vs tors. theta energy: -20.767 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: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -415.385063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.385063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.385063 (E_RNA) where: Base-Base interactions energy: -249.334 where: short stacking energy: -110.227 Base-Backbone interact. energy: 3.350 local terms energy: -169.401081 where: bonds (distance) C4'-P energy: -43.820 bonds (distance) P-C4' energy: -45.356 flat angles C4'-P-C4' energy: -43.799 flat angles P-C4'-P energy: -29.509 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1062.022155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.022155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.022155 (E_RNA) where: Base-Base interactions energy: -758.690 where: short stacking energy: -314.741 Base-Backbone interact. energy: -1.205 local terms energy: -302.127283 where: bonds (distance) C4'-P energy: -54.150 bonds (distance) P-C4' energy: -56.644 flat angles C4'-P-C4' energy: -63.074 flat angles P-C4'-P energy: -46.336 tors. eta vs tors. theta energy: -81.922 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: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1027.004986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.004986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.004986 (E_RNA) where: Base-Base interactions energy: -732.283 where: short stacking energy: -293.347 Base-Backbone interact. energy: -3.670 local terms energy: -291.051723 where: bonds (distance) C4'-P energy: -50.658 bonds (distance) P-C4' energy: -56.526 flat angles C4'-P-C4' energy: -57.564 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -84.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1009.278546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.278546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.278546 (E_RNA) where: Base-Base interactions energy: -718.487 where: short stacking energy: -284.939 Base-Backbone interact. energy: -1.067 local terms energy: -289.725301 where: bonds (distance) C4'-P energy: -49.396 bonds (distance) P-C4' energy: -56.954 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -46.808 tors. eta vs tors. theta energy: -73.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -923.959661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.959661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.959661 (E_RNA) where: Base-Base interactions energy: -633.510 where: short stacking energy: -278.427 Base-Backbone interact. energy: -1.078 local terms energy: -289.372607 where: bonds (distance) C4'-P energy: -57.641 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -60.245 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -68.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -939.161203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.161203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.161203 (E_RNA) where: Base-Base interactions energy: -668.189 where: short stacking energy: -287.845 Base-Backbone interact. energy: -0.542 local terms energy: -270.429690 where: bonds (distance) C4'-P energy: -42.851 bonds (distance) P-C4' energy: -46.888 flat angles C4'-P-C4' energy: -62.314 flat angles P-C4'-P energy: -39.816 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: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -853.909003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.909003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.909003 (E_RNA) where: Base-Base interactions energy: -595.308 where: short stacking energy: -238.489 Base-Backbone interact. energy: -0.826 local terms energy: -257.774379 where: bonds (distance) C4'-P energy: -46.067 bonds (distance) P-C4' energy: -48.747 flat angles C4'-P-C4' energy: -57.257 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -63.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -741.054111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.054111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.054111 (E_RNA) where: Base-Base interactions energy: -488.913 where: short stacking energy: -222.976 Base-Backbone interact. energy: 0.941 local terms energy: -253.082785 where: bonds (distance) C4'-P energy: -42.488 bonds (distance) P-C4' energy: -64.032 flat angles C4'-P-C4' energy: -47.167 flat angles P-C4'-P energy: -45.763 tors. eta vs tors. theta energy: -53.633 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: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -653.755305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.755305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.755305 (E_RNA) where: Base-Base interactions energy: -414.397 where: short stacking energy: -207.000 Base-Backbone interact. energy: -0.873 local terms energy: -238.485408 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -37.367 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -52.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -476.163127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.163127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.163127 (E_RNA) where: Base-Base interactions energy: -287.672 where: short stacking energy: -136.230 Base-Backbone interact. energy: -0.535 local terms energy: -187.955949 where: bonds (distance) C4'-P energy: -49.758 bonds (distance) P-C4' energy: -51.925 flat angles C4'-P-C4' energy: -45.099 flat angles P-C4'-P energy: -25.737 tors. eta vs tors. theta energy: -15.438 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: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -428.585101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.585101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.585101 (E_RNA) where: Base-Base interactions energy: -250.950 where: short stacking energy: -127.793 Base-Backbone interact. energy: 2.501 local terms energy: -180.136004 where: bonds (distance) C4'-P energy: -36.061 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -48.043 flat angles P-C4'-P energy: -33.615 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1074.962356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.962356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.962356 (E_RNA) where: Base-Base interactions energy: -760.136 where: short stacking energy: -303.242 Base-Backbone interact. energy: -0.193 local terms energy: -314.632860 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -54.986 flat angles C4'-P-C4' energy: -70.898 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -85.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1025.271041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.271041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.271041 (E_RNA) where: Base-Base interactions energy: -728.289 where: short stacking energy: -290.685 Base-Backbone interact. energy: -1.751 local terms energy: -295.231503 where: bonds (distance) C4'-P energy: -55.854 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -44.304 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: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1005.893376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.893376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.893376 (E_RNA) where: Base-Base interactions energy: -708.065 where: short stacking energy: -288.507 Base-Backbone interact. energy: -2.193 local terms energy: -295.635125 where: bonds (distance) C4'-P energy: -49.216 bonds (distance) P-C4' energy: -53.345 flat angles C4'-P-C4' energy: -69.608 flat angles P-C4'-P energy: -44.575 tors. eta vs tors. theta energy: -78.891 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: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -910.949667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.949667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.949667 (E_RNA) where: Base-Base interactions energy: -634.191 where: short stacking energy: -270.588 Base-Backbone interact. energy: -0.859 local terms energy: -275.900353 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -49.238 flat angles C4'-P-C4' energy: -56.620 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: -77.928 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: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -954.615724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.615724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.615724 (E_RNA) where: Base-Base interactions energy: -662.514 where: short stacking energy: -272.199 Base-Backbone interact. energy: -1.117 local terms energy: -290.983975 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -55.907 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -80.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -857.159145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.159145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.159145 (E_RNA) where: Base-Base interactions energy: -600.865 where: short stacking energy: -249.497 Base-Backbone interact. energy: -1.338 local terms energy: -254.956091 where: bonds (distance) C4'-P energy: -50.097 bonds (distance) P-C4' energy: -48.457 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -34.580 tors. eta vs tors. theta energy: -63.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -776.719955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.719955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.719955 (E_RNA) where: Base-Base interactions energy: -523.800 where: short stacking energy: -224.608 Base-Backbone interact. energy: 0.116 local terms energy: -253.036145 where: bonds (distance) C4'-P energy: -55.673 bonds (distance) P-C4' energy: -47.658 flat angles C4'-P-C4' energy: -56.026 flat angles P-C4'-P energy: -28.945 tors. eta vs tors. theta energy: -64.733 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: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -632.269822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.269822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.269822 (E_RNA) where: Base-Base interactions energy: -396.322 where: short stacking energy: -181.674 Base-Backbone interact. energy: 1.451 local terms energy: -237.398674 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -58.583 flat angles C4'-P-C4' energy: -56.428 flat angles P-C4'-P energy: -31.608 tors. eta vs tors. theta energy: -43.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -484.155362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.155362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.155362 (E_RNA) where: Base-Base interactions energy: -296.241 where: short stacking energy: -139.617 Base-Backbone interact. energy: -0.019 local terms energy: -187.895639 where: bonds (distance) C4'-P energy: -46.149 bonds (distance) P-C4' energy: -48.743 flat angles C4'-P-C4' energy: -48.664 flat angles P-C4'-P energy: -25.177 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -448.913980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.913980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.913980 (E_RNA) where: Base-Base interactions energy: -262.623 where: short stacking energy: -112.760 Base-Backbone interact. energy: -0.528 local terms energy: -185.762903 where: bonds (distance) C4'-P energy: -45.327 bonds (distance) P-C4' energy: -52.936 flat angles C4'-P-C4' energy: -49.661 flat angles P-C4'-P energy: -27.414 tors. eta vs tors. theta energy: -10.425 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: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1064.054302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.054302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.054302 (E_RNA) where: Base-Base interactions energy: -752.132 where: short stacking energy: -297.397 Base-Backbone interact. energy: 0.975 local terms energy: -312.896718 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -60.273 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: -86.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1023.746317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.746317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.746317 (E_RNA) where: Base-Base interactions energy: -729.176 where: short stacking energy: -281.671 Base-Backbone interact. energy: -1.454 local terms energy: -293.116879 where: bonds (distance) C4'-P energy: -52.500 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -44.923 tors. eta vs tors. theta energy: -77.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1026.928973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.928973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.928973 (E_RNA) where: Base-Base interactions energy: -723.624 where: short stacking energy: -289.545 Base-Backbone interact. energy: -1.187 local terms energy: -302.117422 where: bonds (distance) C4'-P energy: -50.553 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -62.690 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -89.626 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: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -968.214044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.214044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.214044 (E_RNA) where: Base-Base interactions energy: -694.566 where: short stacking energy: -273.306 Base-Backbone interact. energy: -1.116 local terms energy: -272.531848 where: bonds (distance) C4'-P energy: -35.747 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -62.014 flat angles P-C4'-P energy: -36.819 tors. eta vs tors. theta energy: -79.953 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: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -894.260844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.260844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.260844 (E_RNA) where: Base-Base interactions energy: -617.336 where: short stacking energy: -256.614 Base-Backbone interact. energy: -0.013 local terms energy: -276.911870 where: bonds (distance) C4'-P energy: -55.621 bonds (distance) P-C4' energy: -55.069 flat angles C4'-P-C4' energy: -56.433 flat angles P-C4'-P energy: -36.408 tors. eta vs tors. theta energy: -73.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -848.093072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.093072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.093072 (E_RNA) where: Base-Base interactions energy: -592.436 where: short stacking energy: -234.248 Base-Backbone interact. energy: -1.945 local terms energy: -253.712674 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -52.942 flat angles C4'-P-C4' energy: -50.584 flat angles P-C4'-P energy: -34.672 tors. eta vs tors. theta energy: -59.365 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: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -783.647949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.647949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.647949 (E_RNA) where: Base-Base interactions energy: -527.929 where: short stacking energy: -233.066 Base-Backbone interact. energy: 0.721 local terms energy: -256.439805 where: bonds (distance) C4'-P energy: -45.297 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -56.646 flat angles P-C4'-P energy: -35.346 tors. eta vs tors. theta energy: -63.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -602.130882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.130882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.130882 (E_RNA) where: Base-Base interactions energy: -413.311 where: short stacking energy: -171.911 Base-Backbone interact. energy: 0.171 local terms energy: -188.991421 where: bonds (distance) C4'-P energy: -44.565 bonds (distance) P-C4' energy: -50.457 flat angles C4'-P-C4' energy: -44.608 flat angles P-C4'-P energy: -19.589 tors. eta vs tors. theta energy: -29.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -494.340175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.340175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.340175 (E_RNA) where: Base-Base interactions energy: -290.751 where: short stacking energy: -139.394 Base-Backbone interact. energy: 1.380 local terms energy: -204.968731 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -55.329 flat angles C4'-P-C4' energy: -43.178 flat angles P-C4'-P energy: -27.345 tors. eta vs tors. theta energy: -28.079 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: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -419.750688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.750688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.750688 (E_RNA) where: Base-Base interactions energy: -237.170 where: short stacking energy: -111.299 Base-Backbone interact. energy: -2.553 local terms energy: -180.028158 where: bonds (distance) C4'-P energy: -54.259 bonds (distance) P-C4' energy: -36.860 flat angles C4'-P-C4' energy: -59.314 flat angles P-C4'-P energy: -20.615 tors. eta vs tors. theta energy: -8.981 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: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1066.990787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.990787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.990787 (E_RNA) where: Base-Base interactions energy: -748.598 where: short stacking energy: -299.808 Base-Backbone interact. energy: -1.864 local terms energy: -316.529070 where: bonds (distance) C4'-P energy: -53.565 bonds (distance) P-C4' energy: -60.042 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: -84.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1016.172667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.172667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.172667 (E_RNA) where: Base-Base interactions energy: -717.067 where: short stacking energy: -284.480 Base-Backbone interact. energy: 0.189 local terms energy: -299.294171 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -51.443 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -42.487 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: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -962.248972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.248972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.248972 (E_RNA) where: Base-Base interactions energy: -676.305 where: short stacking energy: -263.667 Base-Backbone interact. energy: -1.459 local terms energy: -284.484536 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -56.706 flat angles P-C4'-P energy: -35.930 tors. eta vs tors. theta energy: -80.174 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: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -997.200182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.200182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.200182 (E_RNA) where: Base-Base interactions energy: -712.143 where: short stacking energy: -301.725 Base-Backbone interact. energy: -1.400 local terms energy: -283.657622 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -50.094 flat angles C4'-P-C4' energy: -65.030 flat angles P-C4'-P energy: -35.806 tors. eta vs tors. theta energy: -76.765 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: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -896.768995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.768995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.768995 (E_RNA) where: Base-Base interactions energy: -630.229 where: short stacking energy: -253.974 Base-Backbone interact. energy: 5.092 local terms energy: -271.632506 where: bonds (distance) C4'-P energy: -47.835 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -54.793 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -67.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -840.791832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.791832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.791832 (E_RNA) where: Base-Base interactions energy: -586.322 where: short stacking energy: -239.472 Base-Backbone interact. energy: -1.862 local terms energy: -252.608092 where: bonds (distance) C4'-P energy: -46.509 bonds (distance) P-C4' energy: -46.306 flat angles C4'-P-C4' energy: -62.463 flat angles P-C4'-P energy: -33.029 tors. eta vs tors. theta energy: -64.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -766.926203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.926203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.926203 (E_RNA) where: Base-Base interactions energy: -511.757 where: short stacking energy: -230.464 Base-Backbone interact. energy: 3.723 local terms energy: -258.892301 where: bonds (distance) C4'-P energy: -48.895 bonds (distance) P-C4' energy: -54.019 flat angles C4'-P-C4' energy: -59.222 flat angles P-C4'-P energy: -34.300 tors. eta vs tors. theta energy: -62.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -571.662107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.662107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.662107 (E_RNA) where: Base-Base interactions energy: -383.748 where: short stacking energy: -186.039 Base-Backbone interact. energy: 0.589 local terms energy: -188.503079 where: bonds (distance) C4'-P energy: -39.298 bonds (distance) P-C4' energy: -53.279 flat angles C4'-P-C4' energy: -39.703 flat angles P-C4'-P energy: -21.516 tors. eta vs tors. theta energy: -34.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -445.370693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.370693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.370693 (E_RNA) where: Base-Base interactions energy: -270.178 where: short stacking energy: -143.784 Base-Backbone interact. energy: 1.464 local terms energy: -176.656730 where: bonds (distance) C4'-P energy: -45.410 bonds (distance) P-C4' energy: -41.638 flat angles C4'-P-C4' energy: -49.342 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -12.671 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: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -425.957705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.957705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.957705 (E_RNA) where: Base-Base interactions energy: -237.019 where: short stacking energy: -115.295 Base-Backbone interact. energy: -1.004 local terms energy: -187.934979 where: bonds (distance) C4'-P energy: -49.912 bonds (distance) P-C4' energy: -49.786 flat angles C4'-P-C4' energy: -47.539 flat angles P-C4'-P energy: -23.063 tors. eta vs tors. theta energy: -17.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1084.149222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.149222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.149222 (E_RNA) where: Base-Base interactions energy: -758.767 where: short stacking energy: -322.202 Base-Backbone interact. energy: -0.136 local terms energy: -325.246880 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -71.220 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -88.960 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: 2, replica: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -984.421556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.421556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.421556 (E_RNA) where: Base-Base interactions energy: -675.491 where: short stacking energy: -277.284 Base-Backbone interact. energy: -0.796 local terms energy: -308.133986 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -55.594 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: -91.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1001.861268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.861268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.861268 (E_RNA) where: Base-Base interactions energy: -709.896 where: short stacking energy: -287.810 Base-Backbone interact. energy: -0.783 local terms energy: -291.181715 where: bonds (distance) C4'-P energy: -54.339 bonds (distance) P-C4' energy: -50.849 flat angles C4'-P-C4' energy: -62.379 flat angles P-C4'-P energy: -38.074 tors. eta vs tors. theta energy: -85.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -980.501053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.501053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.501053 (E_RNA) where: Base-Base interactions energy: -684.077 where: short stacking energy: -291.472 Base-Backbone interact. energy: -0.884 local terms energy: -295.540625 where: bonds (distance) C4'-P energy: -51.344 bonds (distance) P-C4' energy: -60.202 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -78.565 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: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -907.900068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.900068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.900068 (E_RNA) where: Base-Base interactions energy: -637.735 where: short stacking energy: -280.771 Base-Backbone interact. energy: -1.724 local terms energy: -268.441080 where: bonds (distance) C4'-P energy: -51.812 bonds (distance) P-C4' energy: -53.945 flat angles C4'-P-C4' energy: -59.069 flat angles P-C4'-P energy: -28.027 tors. eta vs tors. theta energy: -75.587 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: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -815.757969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.757969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.757969 (E_RNA) where: Base-Base interactions energy: -568.320 where: short stacking energy: -225.775 Base-Backbone interact. energy: -3.966 local terms energy: -243.472063 where: bonds (distance) C4'-P energy: -49.782 bonds (distance) P-C4' energy: -55.285 flat angles C4'-P-C4' energy: -44.638 flat angles P-C4'-P energy: -32.446 tors. eta vs tors. theta energy: -61.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -787.550126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.550126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.550126 (E_RNA) where: Base-Base interactions energy: -520.979 where: short stacking energy: -255.283 Base-Backbone interact. energy: -0.797 local terms energy: -265.774549 where: bonds (distance) C4'-P energy: -51.551 bonds (distance) P-C4' energy: -55.248 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: -61.210 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: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -613.534445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.534445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.534445 (E_RNA) where: Base-Base interactions energy: -398.756 where: short stacking energy: -182.563 Base-Backbone interact. energy: -0.219 local terms energy: -214.559825 where: bonds (distance) C4'-P energy: -54.347 bonds (distance) P-C4' energy: -47.723 flat angles C4'-P-C4' energy: -50.905 flat angles P-C4'-P energy: -26.117 tors. eta vs tors. theta energy: -35.467 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: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -442.138747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.138747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.138747 (E_RNA) where: Base-Base interactions energy: -260.943 where: short stacking energy: -128.933 Base-Backbone interact. energy: -1.480 local terms energy: -179.716318 where: bonds (distance) C4'-P energy: -55.388 bonds (distance) P-C4' energy: -46.602 flat angles C4'-P-C4' energy: -42.900 flat angles P-C4'-P energy: -23.790 tors. eta vs tors. theta energy: -11.036 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: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -417.935366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.935366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.935366 (E_RNA) where: Base-Base interactions energy: -255.188 where: short stacking energy: -111.604 Base-Backbone interact. energy: 2.824 local terms energy: -165.571098 where: bonds (distance) C4'-P energy: -51.286 bonds (distance) P-C4' energy: -35.105 flat angles C4'-P-C4' energy: -49.781 flat angles P-C4'-P energy: -21.622 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1050.780197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.780197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.780197 (E_RNA) where: Base-Base interactions energy: -748.555 where: short stacking energy: -297.846 Base-Backbone interact. energy: -1.459 local terms energy: -300.766359 where: bonds (distance) C4'-P energy: -56.846 bonds (distance) P-C4' energy: -58.970 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: -80.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1001.312392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.312392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.312392 (E_RNA) where: Base-Base interactions energy: -717.740 where: short stacking energy: -306.761 Base-Backbone interact. energy: -0.852 local terms energy: -282.719831 where: bonds (distance) C4'-P energy: -42.993 bonds (distance) P-C4' energy: -46.913 flat angles C4'-P-C4' energy: -65.131 flat angles P-C4'-P energy: -41.067 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1014.145973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.145973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.145973 (E_RNA) where: Base-Base interactions energy: -706.711 where: short stacking energy: -305.482 Base-Backbone interact. energy: -2.651 local terms energy: -304.783827 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -61.160 flat angles C4'-P-C4' energy: -64.139 flat angles P-C4'-P energy: -37.141 tors. eta vs tors. theta energy: -83.003 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: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -997.870692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.870692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.870692 (E_RNA) where: Base-Base interactions energy: -713.230 where: short stacking energy: -276.724 Base-Backbone interact. energy: -0.281 local terms energy: -284.360134 where: bonds (distance) C4'-P energy: -52.571 bonds (distance) P-C4' energy: -56.178 flat angles C4'-P-C4' energy: -55.488 flat angles P-C4'-P energy: -39.416 tors. eta vs tors. theta energy: -80.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -927.626634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.626634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.626634 (E_RNA) where: Base-Base interactions energy: -649.474 where: short stacking energy: -276.805 Base-Backbone interact. energy: -1.189 local terms energy: -276.963777 where: bonds (distance) C4'-P energy: -49.607 bonds (distance) P-C4' energy: -49.821 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -34.672 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: 404 Temperature: 1.150000 Total energy: -853.332117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.332117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.332117 (E_RNA) where: Base-Base interactions energy: -593.493 where: short stacking energy: -254.711 Base-Backbone interact. energy: 0.072 local terms energy: -259.911909 where: bonds (distance) C4'-P energy: -52.660 bonds (distance) P-C4' energy: -42.857 flat angles C4'-P-C4' energy: -51.870 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -69.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -749.965432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.965432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.965432 (E_RNA) where: Base-Base interactions energy: -503.773 where: short stacking energy: -217.812 Base-Backbone interact. energy: -1.768 local terms energy: -244.424581 where: bonds (distance) C4'-P energy: -46.696 bonds (distance) P-C4' energy: -53.948 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -29.937 tors. eta vs tors. theta energy: -55.240 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: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -594.501230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.501230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.501230 (E_RNA) where: Base-Base interactions energy: -382.436 where: short stacking energy: -177.233 Base-Backbone interact. energy: 2.282 local terms energy: -214.347561 where: bonds (distance) C4'-P energy: -46.724 bonds (distance) P-C4' energy: -52.444 flat angles C4'-P-C4' energy: -41.959 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -35.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -435.650089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.650089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.650089 (E_RNA) where: Base-Base interactions energy: -251.953 where: short stacking energy: -120.601 Base-Backbone interact. energy: -0.923 local terms energy: -182.774352 where: bonds (distance) C4'-P energy: -54.262 bonds (distance) P-C4' energy: -47.897 flat angles C4'-P-C4' energy: -41.196 flat angles P-C4'-P energy: -22.116 tors. eta vs tors. theta energy: -17.304 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: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -370.908073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.908073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.908073 (E_RNA) where: Base-Base interactions energy: -197.178 where: short stacking energy: -110.025 Base-Backbone interact. energy: -0.764 local terms energy: -172.966417 where: bonds (distance) C4'-P energy: -51.359 bonds (distance) P-C4' energy: -46.775 flat angles C4'-P-C4' energy: -38.576 flat angles P-C4'-P energy: -24.945 tors. eta vs tors. theta energy: -11.311 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: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1068.129443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.129443 (E_RNA) where: Base-Base interactions energy: -764.152 where: short stacking energy: -310.415 Base-Backbone interact. energy: 2.618 local terms energy: -306.595797 where: bonds (distance) C4'-P energy: -54.561 bonds (distance) P-C4' energy: -64.333 flat angles C4'-P-C4' energy: -62.572 flat angles P-C4'-P energy: -40.484 tors. eta vs tors. theta energy: -84.645 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: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1021.826099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.826099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.826099 (E_RNA) where: Base-Base interactions energy: -720.309 where: short stacking energy: -300.473 Base-Backbone interact. energy: -1.556 local terms energy: -299.961210 where: bonds (distance) C4'-P energy: -60.345 bonds (distance) P-C4' energy: -51.029 flat angles C4'-P-C4' energy: -67.645 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: -81.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1008.204308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.204308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.204308 (E_RNA) where: Base-Base interactions energy: -709.806 where: short stacking energy: -301.841 Base-Backbone interact. energy: -1.074 local terms energy: -297.325096 where: bonds (distance) C4'-P energy: -52.337 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -39.377 tors. eta vs tors. theta energy: -85.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -986.714329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.714329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.714329 (E_RNA) where: Base-Base interactions energy: -685.625 where: short stacking energy: -280.291 Base-Backbone interact. energy: 0.933 local terms energy: -302.022573 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -63.683 flat angles P-C4'-P energy: -45.991 tors. eta vs tors. theta energy: -73.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -942.749887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.749887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.749887 (E_RNA) where: Base-Base interactions energy: -655.428 where: short stacking energy: -278.371 Base-Backbone interact. energy: 0.764 local terms energy: -288.086639 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -57.486 flat angles P-C4'-P energy: -39.999 tors. eta vs tors. theta energy: -70.663 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -855.420672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.420672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.420672 (E_RNA) where: Base-Base interactions energy: -590.579 where: short stacking energy: -251.170 Base-Backbone interact. energy: 3.914 local terms energy: -268.755337 where: bonds (distance) C4'-P energy: -52.650 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -55.001 flat angles P-C4'-P energy: -30.308 tors. eta vs tors. theta energy: -71.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -736.916870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.916870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.916870 (E_RNA) where: Base-Base interactions energy: -496.276 where: short stacking energy: -227.808 Base-Backbone interact. energy: 1.191 local terms energy: -241.831190 where: bonds (distance) C4'-P energy: -46.944 bonds (distance) P-C4' energy: -52.263 flat angles C4'-P-C4' energy: -57.382 flat angles P-C4'-P energy: -34.111 tors. eta vs tors. theta energy: -51.131 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: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -567.452708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.452708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.452708 (E_RNA) where: Base-Base interactions energy: -343.288 where: short stacking energy: -144.805 Base-Backbone interact. energy: -1.177 local terms energy: -222.987900 where: bonds (distance) C4'-P energy: -49.852 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -51.426 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: -26.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -499.350848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.350848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.350848 (E_RNA) where: Base-Base interactions energy: -303.562 where: short stacking energy: -148.583 Base-Backbone interact. energy: -0.177 local terms energy: -195.612034 where: bonds (distance) C4'-P energy: -44.040 bonds (distance) P-C4' energy: -48.701 flat angles C4'-P-C4' energy: -40.842 flat angles P-C4'-P energy: -29.554 tors. eta vs tors. theta energy: -32.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -352.220325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.220325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.220325 (E_RNA) where: Base-Base interactions energy: -192.133 where: short stacking energy: -102.821 Base-Backbone interact. energy: -0.669 local terms energy: -159.417931 where: bonds (distance) C4'-P energy: -42.806 bonds (distance) P-C4' energy: -47.120 flat angles C4'-P-C4' energy: -46.950 flat angles P-C4'-P energy: -18.007 tors. eta vs tors. theta energy: -4.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1071.279103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.279103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.279103 (E_RNA) where: Base-Base interactions energy: -758.685 where: short stacking energy: -305.252 Base-Backbone interact. energy: 0.046 local terms energy: -312.640883 where: bonds (distance) C4'-P energy: -51.251 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -69.068 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -87.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1006.663538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.663538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.663538 (E_RNA) where: Base-Base interactions energy: -705.365 where: short stacking energy: -292.781 Base-Backbone interact. energy: 1.712 local terms energy: -303.009927 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -62.942 flat angles P-C4'-P energy: -45.622 tors. eta vs tors. theta energy: -82.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1010.583570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.583570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.583570 (E_RNA) where: Base-Base interactions energy: -694.011 where: short stacking energy: -272.818 Base-Backbone interact. energy: -1.075 local terms energy: -315.497119 where: bonds (distance) C4'-P energy: -61.545 bonds (distance) P-C4' energy: -63.709 flat angles C4'-P-C4' energy: -71.773 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: -78.716 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: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -978.048966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.048966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.048966 (E_RNA) where: Base-Base interactions energy: -693.202 where: short stacking energy: -279.210 Base-Backbone interact. energy: -1.140 local terms energy: -283.707378 where: bonds (distance) C4'-P energy: -56.142 bonds (distance) P-C4' energy: -49.931 flat angles C4'-P-C4' energy: -57.296 flat angles P-C4'-P energy: -42.851 tors. eta vs tors. theta energy: -77.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -939.904291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.904291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.904291 (E_RNA) where: Base-Base interactions energy: -659.886 where: short stacking energy: -286.209 Base-Backbone interact. energy: -0.594 local terms energy: -279.424881 where: bonds (distance) C4'-P energy: -45.114 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -67.312 flat angles P-C4'-P energy: -38.588 tors. eta vs tors. theta energy: -74.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -838.786696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.786696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.786696 (E_RNA) where: Base-Base interactions energy: -586.538 where: short stacking energy: -234.329 Base-Backbone interact. energy: -1.046 local terms energy: -251.203009 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -44.115 flat angles C4'-P-C4' energy: -60.862 flat angles P-C4'-P energy: -24.552 tors. eta vs tors. theta energy: -65.078 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: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -740.773513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.773513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.773513 (E_RNA) where: Base-Base interactions energy: -486.898 where: short stacking energy: -204.432 Base-Backbone interact. energy: -1.044 local terms energy: -252.830793 where: bonds (distance) C4'-P energy: -45.527 bonds (distance) P-C4' energy: -64.257 flat angles C4'-P-C4' energy: -56.112 flat angles P-C4'-P energy: -32.316 tors. eta vs tors. theta energy: -54.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -519.147627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.147627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.147627 (E_RNA) where: Base-Base interactions energy: -313.774 where: short stacking energy: -149.920 Base-Backbone interact. energy: -1.108 local terms energy: -204.265681 where: bonds (distance) C4'-P energy: -51.293 bonds (distance) P-C4' energy: -46.859 flat angles C4'-P-C4' energy: -50.998 flat angles P-C4'-P energy: -31.697 tors. eta vs tors. theta energy: -23.419 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: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -506.621146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.621146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.621146 (E_RNA) where: Base-Base interactions energy: -298.734 where: short stacking energy: -142.477 Base-Backbone interact. energy: -1.531 local terms energy: -206.355327 where: bonds (distance) C4'-P energy: -50.175 bonds (distance) P-C4' energy: -48.716 flat angles C4'-P-C4' energy: -53.947 flat angles P-C4'-P energy: -27.672 tors. eta vs tors. theta energy: -25.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -360.370095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.370095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.370095 (E_RNA) where: Base-Base interactions energy: -194.133 where: short stacking energy: -134.048 Base-Backbone interact. energy: -0.032 local terms energy: -166.205139 where: bonds (distance) C4'-P energy: -30.628 bonds (distance) P-C4' energy: -50.590 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -23.761 tors. eta vs tors. theta energy: -10.131 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: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1063.087178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.087178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.087178 (E_RNA) where: Base-Base interactions energy: -768.593 where: short stacking energy: -305.577 Base-Backbone interact. energy: -2.205 local terms energy: -292.288436 where: bonds (distance) C4'-P energy: -58.919 bonds (distance) P-C4' energy: -56.221 flat angles C4'-P-C4' energy: -65.952 flat angles P-C4'-P energy: -33.671 tors. eta vs tors. theta energy: -77.525 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: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1023.601435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.601435 (E_RNA) where: Base-Base interactions energy: -713.616 where: short stacking energy: -290.783 Base-Backbone interact. energy: -1.167 local terms energy: -308.819120 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -59.892 flat angles C4'-P-C4' energy: -63.018 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -83.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1003.947019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.947019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.947019 (E_RNA) where: Base-Base interactions energy: -711.536 where: short stacking energy: -281.262 Base-Backbone interact. energy: -0.967 local terms energy: -291.444509 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -55.986 flat angles C4'-P-C4' energy: -67.126 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: -74.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -970.371597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.371597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.371597 (E_RNA) where: Base-Base interactions energy: -689.216 where: short stacking energy: -295.834 Base-Backbone interact. energy: -2.594 local terms energy: -278.561953 where: bonds (distance) C4'-P energy: -59.649 bonds (distance) P-C4' energy: -48.070 flat angles C4'-P-C4' energy: -52.780 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -76.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -931.930204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.930204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.930204 (E_RNA) where: Base-Base interactions energy: -670.598 where: short stacking energy: -283.029 Base-Backbone interact. energy: -0.859 local terms energy: -260.474136 where: bonds (distance) C4'-P energy: -45.830 bonds (distance) P-C4' energy: -47.469 flat angles C4'-P-C4' energy: -50.418 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -77.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -865.041700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.041700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.041700 (E_RNA) where: Base-Base interactions energy: -596.867 where: short stacking energy: -251.618 Base-Backbone interact. energy: -1.142 local terms energy: -267.032239 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -43.527 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -70.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -789.369439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.369439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.369439 (E_RNA) where: Base-Base interactions energy: -542.175 where: short stacking energy: -235.397 Base-Backbone interact. energy: -1.283 local terms energy: -245.911851 where: bonds (distance) C4'-P energy: -44.529 bonds (distance) P-C4' energy: -40.461 flat angles C4'-P-C4' energy: -58.619 flat angles P-C4'-P energy: -43.111 tors. eta vs tors. theta energy: -59.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -505.133626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.133626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.133626 (E_RNA) where: Base-Base interactions energy: -297.055 where: short stacking energy: -135.381 Base-Backbone interact. energy: -1.564 local terms energy: -206.515282 where: bonds (distance) C4'-P energy: -48.710 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -54.299 flat angles P-C4'-P energy: -27.741 tors. eta vs tors. theta energy: -20.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -472.454172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.454172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.454172 (E_RNA) where: Base-Base interactions energy: -288.811 where: short stacking energy: -133.424 Base-Backbone interact. energy: 1.858 local terms energy: -185.501252 where: bonds (distance) C4'-P energy: -40.558 bonds (distance) P-C4' energy: -47.807 flat angles C4'-P-C4' energy: -41.943 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: -20.281 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: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -352.465818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.465818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.465818 (E_RNA) where: Base-Base interactions energy: -192.915 where: short stacking energy: -107.910 Base-Backbone interact. energy: -0.613 local terms energy: -158.937481 where: bonds (distance) C4'-P energy: -45.261 bonds (distance) P-C4' energy: -47.172 flat angles C4'-P-C4' energy: -37.424 flat angles P-C4'-P energy: -27.744 tors. eta vs tors. theta energy: -1.336 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: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1039.915483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.915483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.915483 (E_RNA) where: Base-Base interactions energy: -731.189 where: short stacking energy: -303.322 Base-Backbone interact. energy: -0.176 local terms energy: -308.550275 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -61.198 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -86.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1051.107188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.107188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.107188 (E_RNA) where: Base-Base interactions energy: -755.974 where: short stacking energy: -306.427 Base-Backbone interact. energy: 0.056 local terms energy: -295.189113 where: bonds (distance) C4'-P energy: -52.336 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -60.773 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -81.333 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: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1026.018385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.018385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.018385 (E_RNA) where: Base-Base interactions energy: -734.091 where: short stacking energy: -292.023 Base-Backbone interact. energy: 0.477 local terms energy: -292.404912 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -49.847 flat angles C4'-P-C4' energy: -68.229 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -76.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -950.989301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.989301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.989301 (E_RNA) where: Base-Base interactions energy: -676.258 where: short stacking energy: -264.813 Base-Backbone interact. energy: -1.928 local terms energy: -272.803106 where: bonds (distance) C4'-P energy: -52.875 bonds (distance) P-C4' energy: -42.995 flat angles C4'-P-C4' energy: -61.134 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -68.647 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: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -887.823884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.823884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.823884 (E_RNA) where: Base-Base interactions energy: -624.142 where: short stacking energy: -243.525 Base-Backbone interact. energy: -1.434 local terms energy: -262.247754 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -55.189 flat angles C4'-P-C4' energy: -55.078 flat angles P-C4'-P energy: -35.426 tors. eta vs tors. theta energy: -62.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -890.688658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.688658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.688658 (E_RNA) where: Base-Base interactions energy: -633.671 where: short stacking energy: -263.638 Base-Backbone interact. energy: 0.979 local terms energy: -257.997050 where: bonds (distance) C4'-P energy: -51.305 bonds (distance) P-C4' energy: -54.718 flat angles C4'-P-C4' energy: -57.570 flat angles P-C4'-P energy: -24.564 tors. eta vs tors. theta energy: -69.840 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: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -784.118534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.118534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.118534 (E_RNA) where: Base-Base interactions energy: -532.437 where: short stacking energy: -237.815 Base-Backbone interact. energy: -0.674 local terms energy: -251.007251 where: bonds (distance) C4'-P energy: -50.303 bonds (distance) P-C4' energy: -42.981 flat angles C4'-P-C4' energy: -55.806 flat angles P-C4'-P energy: -35.458 tors. eta vs tors. theta energy: -66.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -532.471816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.471816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.471816 (E_RNA) where: Base-Base interactions energy: -319.965 where: short stacking energy: -177.197 Base-Backbone interact. energy: 0.768 local terms energy: -213.274225 where: bonds (distance) C4'-P energy: -51.101 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -59.163 flat angles P-C4'-P energy: -17.340 tors. eta vs tors. theta energy: -31.122 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: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -506.424588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.424588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.424588 (E_RNA) where: Base-Base interactions energy: -293.489 where: short stacking energy: -137.984 Base-Backbone interact. energy: 2.019 local terms energy: -214.954949 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -53.916 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -37.190 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: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -350.569283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.569283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.569283 (E_RNA) where: Base-Base interactions energy: -168.562 where: short stacking energy: -101.836 Base-Backbone interact. energy: 0.614 local terms energy: -182.621155 where: bonds (distance) C4'-P energy: -46.996 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -39.542 flat angles P-C4'-P energy: -28.582 tors. eta vs tors. theta energy: -9.574 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: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1042.592348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.592348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.592348 (E_RNA) where: Base-Base interactions energy: -741.122 where: short stacking energy: -309.647 Base-Backbone interact. energy: -0.789 local terms energy: -300.681457 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -53.791 flat angles C4'-P-C4' energy: -63.201 flat angles P-C4'-P energy: -40.843 tors. eta vs tors. theta energy: -85.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1058.741269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.741269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.741269 (E_RNA) where: Base-Base interactions energy: -753.525 where: short stacking energy: -302.033 Base-Backbone interact. energy: -1.750 local terms energy: -303.466483 where: bonds (distance) C4'-P energy: -64.889 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -60.404 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -84.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1014.182258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.182258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.182258 (E_RNA) where: Base-Base interactions energy: -711.422 where: short stacking energy: -272.279 Base-Backbone interact. energy: 1.485 local terms energy: -304.245216 where: bonds (distance) C4'-P energy: -60.693 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -61.225 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -76.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -941.945155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.945155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.945155 (E_RNA) where: Base-Base interactions energy: -653.001 where: short stacking energy: -282.368 Base-Backbone interact. energy: -0.219 local terms energy: -288.725190 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -48.888 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -44.864 tors. eta vs tors. theta energy: -76.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -856.883373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.883373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.883373 (E_RNA) where: Base-Base interactions energy: -609.443 where: short stacking energy: -237.820 Base-Backbone interact. energy: -1.236 local terms energy: -246.204611 where: bonds (distance) C4'-P energy: -48.827 bonds (distance) P-C4' energy: -50.422 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -26.665 tors. eta vs tors. theta energy: -64.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -924.727782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.727782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.727782 (E_RNA) where: Base-Base interactions energy: -643.741 where: short stacking energy: -266.634 Base-Backbone interact. energy: -1.631 local terms energy: -279.355823 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -52.068 flat angles C4'-P-C4' energy: -58.627 flat angles P-C4'-P energy: -41.858 tors. eta vs tors. theta energy: -71.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -774.503233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.503233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.503233 (E_RNA) where: Base-Base interactions energy: -516.286 where: short stacking energy: -233.784 Base-Backbone interact. energy: -0.668 local terms energy: -257.549457 where: bonds (distance) C4'-P energy: -43.262 bonds (distance) P-C4' energy: -55.309 flat angles C4'-P-C4' energy: -59.650 flat angles P-C4'-P energy: -37.414 tors. eta vs tors. theta energy: -61.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -533.918308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.918308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.918308 (E_RNA) where: Base-Base interactions energy: -316.992 where: short stacking energy: -171.417 Base-Backbone interact. energy: 4.510 local terms energy: -221.437016 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -48.498 flat angles P-C4'-P energy: -31.433 tors. eta vs tors. theta energy: -29.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -475.025152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.025152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.025152 (E_RNA) where: Base-Base interactions energy: -283.265 where: short stacking energy: -140.950 Base-Backbone interact. energy: -2.197 local terms energy: -189.563555 where: bonds (distance) C4'-P energy: -54.170 bonds (distance) P-C4' energy: -53.383 flat angles C4'-P-C4' energy: -44.261 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -25.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -360.123064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.123064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.123064 (E_RNA) where: Base-Base interactions energy: -193.598 where: short stacking energy: -90.188 Base-Backbone interact. energy: -1.282 local terms energy: -165.242507 where: bonds (distance) C4'-P energy: -41.533 bonds (distance) P-C4' energy: -59.653 flat angles C4'-P-C4' energy: -42.479 flat angles P-C4'-P energy: -19.468 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: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1071.185492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.185492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.185492 (E_RNA) where: Base-Base interactions energy: -759.831 where: short stacking energy: -300.499 Base-Backbone interact. energy: -0.319 local terms energy: -311.036280 where: bonds (distance) C4'-P energy: -60.370 bonds (distance) P-C4' energy: -60.508 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -83.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1037.760498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.760498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.760498 (E_RNA) where: Base-Base interactions energy: -723.753 where: short stacking energy: -301.729 Base-Backbone interact. energy: -1.304 local terms energy: -312.703102 where: bonds (distance) C4'-P energy: -54.542 bonds (distance) P-C4' energy: -57.191 flat angles C4'-P-C4' energy: -65.900 flat angles P-C4'-P energy: -42.612 tors. eta vs tors. theta energy: -92.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -961.107945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.107945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.107945 (E_RNA) where: Base-Base interactions energy: -669.864 where: short stacking energy: -283.699 Base-Backbone interact. energy: -0.051 local terms energy: -291.192057 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -56.835 flat angles C4'-P-C4' energy: -60.322 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -76.016 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1007.648614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.648614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.648614 (E_RNA) where: Base-Base interactions energy: -721.432 where: short stacking energy: -273.468 Base-Backbone interact. energy: -1.531 local terms energy: -284.686459 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -53.549 flat angles C4'-P-C4' energy: -57.632 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -82.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -945.122141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.122141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.122141 (E_RNA) where: Base-Base interactions energy: -664.584 where: short stacking energy: -266.942 Base-Backbone interact. energy: -0.148 local terms energy: -280.390330 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -57.847 flat angles P-C4'-P energy: -45.933 tors. eta vs tors. theta energy: -72.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -832.953635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.953635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.953635 (E_RNA) where: Base-Base interactions energy: -573.362 where: short stacking energy: -227.517 Base-Backbone interact. energy: -2.284 local terms energy: -257.307541 where: bonds (distance) C4'-P energy: -49.890 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -53.029 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -63.253 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: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -779.314958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.314958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.314958 (E_RNA) where: Base-Base interactions energy: -518.482 where: short stacking energy: -242.302 Base-Backbone interact. energy: -0.842 local terms energy: -259.990513 where: bonds (distance) C4'-P energy: -50.190 bonds (distance) P-C4' energy: -50.033 flat angles C4'-P-C4' energy: -59.004 flat angles P-C4'-P energy: -37.655 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: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -521.428630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.428630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.428630 (E_RNA) where: Base-Base interactions energy: -297.456 where: short stacking energy: -153.377 Base-Backbone interact. energy: 1.180 local terms energy: -225.152126 where: bonds (distance) C4'-P energy: -48.197 bonds (distance) P-C4' energy: -52.979 flat angles C4'-P-C4' energy: -53.722 flat angles P-C4'-P energy: -39.399 tors. eta vs tors. theta energy: -30.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -447.534673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.534673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.534673 (E_RNA) where: Base-Base interactions energy: -257.277 where: short stacking energy: -135.818 Base-Backbone interact. energy: -1.364 local terms energy: -188.893938 where: bonds (distance) C4'-P energy: -46.709 bonds (distance) P-C4' energy: -58.042 flat angles C4'-P-C4' energy: -44.012 flat angles P-C4'-P energy: -22.813 tors. eta vs tors. theta energy: -17.318 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: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -326.648750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.648750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.648750 (E_RNA) where: Base-Base interactions energy: -163.207 where: short stacking energy: -98.200 Base-Backbone interact. energy: -1.571 local terms energy: -161.870474 where: bonds (distance) C4'-P energy: -48.594 bonds (distance) P-C4' energy: -40.331 flat angles C4'-P-C4' energy: -49.991 flat angles P-C4'-P energy: -22.710 tors. eta vs tors. theta energy: -0.244 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: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1077.860518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.860518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.860518 (E_RNA) where: Base-Base interactions energy: -758.284 where: short stacking energy: -308.539 Base-Backbone interact. energy: 0.049 local terms energy: -319.626119 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -64.417 flat angles C4'-P-C4' energy: -65.969 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -80.385 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: 411 Temperature: 0.950000 Total energy: -1021.893404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.893404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.893404 (E_RNA) where: Base-Base interactions energy: -713.662 where: short stacking energy: -300.667 Base-Backbone interact. energy: -0.239 local terms energy: -307.992579 where: bonds (distance) C4'-P energy: -49.155 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -64.665 flat angles P-C4'-P energy: -46.600 tors. eta vs tors. theta energy: -91.396 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: 411 Temperature: 1.000000 Total energy: -974.323868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.323868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.323868 (E_RNA) where: Base-Base interactions energy: -678.798 where: short stacking energy: -288.340 Base-Backbone interact. energy: -1.466 local terms energy: -294.060639 where: bonds (distance) C4'-P energy: -48.017 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -62.922 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -78.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -996.831823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.831823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.831823 (E_RNA) where: Base-Base interactions energy: -705.195 where: short stacking energy: -287.622 Base-Backbone interact. energy: -2.450 local terms energy: -289.187133 where: bonds (distance) C4'-P energy: -50.401 bonds (distance) P-C4' energy: -49.575 flat angles C4'-P-C4' energy: -58.737 flat angles P-C4'-P energy: -44.716 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: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -912.643414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.643414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.643414 (E_RNA) where: Base-Base interactions energy: -615.697 where: short stacking energy: -250.054 Base-Backbone interact. energy: -1.339 local terms energy: -295.607532 where: bonds (distance) C4'-P energy: -51.728 bonds (distance) P-C4' energy: -58.954 flat angles C4'-P-C4' energy: -63.264 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -79.463 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: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -864.380357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.380357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.380357 (E_RNA) where: Base-Base interactions energy: -598.335 where: short stacking energy: -250.435 Base-Backbone interact. energy: -0.907 local terms energy: -265.137756 where: bonds (distance) C4'-P energy: -38.519 bonds (distance) P-C4' energy: -57.557 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -38.135 tors. eta vs tors. theta energy: -68.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -790.679192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.679192 (E_RNA) where: Base-Base interactions energy: -516.997 where: short stacking energy: -228.721 Base-Backbone interact. energy: 0.118 local terms energy: -273.800036 where: bonds (distance) C4'-P energy: -54.112 bonds (distance) P-C4' energy: -54.522 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -31.492 tors. eta vs tors. theta energy: -70.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -519.945831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.945831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.945831 (E_RNA) where: Base-Base interactions energy: -301.824 where: short stacking energy: -153.935 Base-Backbone interact. energy: -0.810 local terms energy: -217.311190 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -24.002 tors. eta vs tors. theta energy: -25.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -490.522202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.522202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.522202 (E_RNA) where: Base-Base interactions energy: -297.662 where: short stacking energy: -149.634 Base-Backbone interact. energy: 0.991 local terms energy: -193.851517 where: bonds (distance) C4'-P energy: -38.447 bonds (distance) P-C4' energy: -41.116 flat angles C4'-P-C4' energy: -51.112 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -20.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -345.785002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.785002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.785002 (E_RNA) where: Base-Base interactions energy: -195.857 where: short stacking energy: -111.038 Base-Backbone interact. energy: 1.983 local terms energy: -151.910351 where: bonds (distance) C4'-P energy: -48.876 bonds (distance) P-C4' energy: -51.444 flat angles C4'-P-C4' energy: -23.381 flat angles P-C4'-P energy: -18.402 tors. eta vs tors. theta energy: -9.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1055.078449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.078449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.078449 (E_RNA) where: Base-Base interactions energy: -748.348 where: short stacking energy: -301.734 Base-Backbone interact. energy: -2.140 local terms energy: -304.590380 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -65.079 flat angles P-C4'-P energy: -40.441 tors. eta vs tors. theta energy: -82.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1034.189626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.189626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.189626 (E_RNA) where: Base-Base interactions energy: -718.173 where: short stacking energy: -304.143 Base-Backbone interact. energy: -0.849 local terms energy: -315.167918 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -60.786 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -87.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1007.084903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.084903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.084903 (E_RNA) where: Base-Base interactions energy: -716.769 where: short stacking energy: -280.184 Base-Backbone interact. energy: -0.698 local terms energy: -289.618806 where: bonds (distance) C4'-P energy: -51.478 bonds (distance) P-C4' energy: -53.481 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -37.845 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: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -960.684090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.684090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.684090 (E_RNA) where: Base-Base interactions energy: -678.373 where: short stacking energy: -279.668 Base-Backbone interact. energy: 0.405 local terms energy: -282.715726 where: bonds (distance) C4'-P energy: -54.369 bonds (distance) P-C4' energy: -51.573 flat angles C4'-P-C4' energy: -59.633 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -73.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -911.058827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.058827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.058827 (E_RNA) where: Base-Base interactions energy: -644.133 where: short stacking energy: -263.282 Base-Backbone interact. energy: 0.356 local terms energy: -267.281852 where: bonds (distance) C4'-P energy: -41.296 bonds (distance) P-C4' energy: -40.929 flat angles C4'-P-C4' energy: -66.638 flat angles P-C4'-P energy: -42.531 tors. eta vs tors. theta energy: -75.887 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: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -884.542804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.542804 (E_RNA) where: Base-Base interactions energy: -623.217 where: short stacking energy: -253.244 Base-Backbone interact. energy: -0.856 local terms energy: -260.469047 where: bonds (distance) C4'-P energy: -45.556 bonds (distance) P-C4' energy: -42.229 flat angles C4'-P-C4' energy: -61.657 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -73.140 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: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -785.363575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.363575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.363575 (E_RNA) where: Base-Base interactions energy: -519.078 where: short stacking energy: -248.962 Base-Backbone interact. energy: -1.057 local terms energy: -265.227778 where: bonds (distance) C4'-P energy: -51.123 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -52.236 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -68.056 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: 412 Temperature: 1.250000 Total energy: -528.319131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.319131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.319131 (E_RNA) where: Base-Base interactions energy: -317.350 where: short stacking energy: -166.737 Base-Backbone interact. energy: -0.557 local terms energy: -210.412245 where: bonds (distance) C4'-P energy: -43.974 bonds (distance) P-C4' energy: -53.566 flat angles C4'-P-C4' energy: -46.358 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -30.327 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: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -516.910280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.910280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.910280 (E_RNA) where: Base-Base interactions energy: -313.945 where: short stacking energy: -160.642 Base-Backbone interact. energy: -0.222 local terms energy: -202.743154 where: bonds (distance) C4'-P energy: -43.545 bonds (distance) P-C4' energy: -48.484 flat angles C4'-P-C4' energy: -48.323 flat angles P-C4'-P energy: -32.600 tors. eta vs tors. theta energy: -29.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -402.436977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.436977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.436977 (E_RNA) where: Base-Base interactions energy: -223.678 where: short stacking energy: -120.543 Base-Backbone interact. energy: -0.734 local terms energy: -178.024607 where: bonds (distance) C4'-P energy: -46.365 bonds (distance) P-C4' energy: -44.362 flat angles C4'-P-C4' energy: -45.720 flat angles P-C4'-P energy: -29.426 tors. eta vs tors. theta energy: -12.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1086.709474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.709474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.709474 (E_RNA) where: Base-Base interactions energy: -756.368 where: short stacking energy: -314.262 Base-Backbone interact. energy: -0.434 local terms energy: -329.907955 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -74.113 flat angles P-C4'-P energy: -44.649 tors. eta vs tors. theta energy: -89.386 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: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1026.912556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.912556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.912556 (E_RNA) where: Base-Base interactions energy: -722.870 where: short stacking energy: -304.432 Base-Backbone interact. energy: -0.946 local terms energy: -303.096400 where: bonds (distance) C4'-P energy: -59.044 bonds (distance) P-C4' energy: -53.079 flat angles C4'-P-C4' energy: -62.769 flat angles P-C4'-P energy: -40.055 tors. eta vs tors. theta energy: -88.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -994.864830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.864830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.864830 (E_RNA) where: Base-Base interactions energy: -714.019 where: short stacking energy: -285.531 Base-Backbone interact. energy: -0.864 local terms energy: -279.981668 where: bonds (distance) C4'-P energy: -45.317 bonds (distance) P-C4' energy: -57.088 flat angles C4'-P-C4' energy: -54.505 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -78.398 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: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -959.473288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.473288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.473288 (E_RNA) where: Base-Base interactions energy: -669.624 where: short stacking energy: -283.402 Base-Backbone interact. energy: -1.757 local terms energy: -288.091660 where: bonds (distance) C4'-P energy: -49.590 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -56.284 flat angles P-C4'-P energy: -43.735 tors. eta vs tors. theta energy: -83.830 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: 5, replica: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -911.927982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.927982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.927982 (E_RNA) where: Base-Base interactions energy: -629.092 where: short stacking energy: -273.280 Base-Backbone interact. energy: -1.241 local terms energy: -281.594501 where: bonds (distance) C4'-P energy: -50.341 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -31.259 tors. eta vs tors. theta energy: -79.830 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: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -870.961214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.961214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.961214 (E_RNA) where: Base-Base interactions energy: -597.927 where: short stacking energy: -258.549 Base-Backbone interact. energy: -1.148 local terms energy: -271.886585 where: bonds (distance) C4'-P energy: -51.781 bonds (distance) P-C4' energy: -54.957 flat angles C4'-P-C4' energy: -59.810 flat angles P-C4'-P energy: -33.953 tors. eta vs tors. theta energy: -71.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -798.266939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.266939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.266939 (E_RNA) where: Base-Base interactions energy: -539.936 where: short stacking energy: -251.522 Base-Backbone interact. energy: -1.948 local terms energy: -256.383041 where: bonds (distance) C4'-P energy: -46.157 bonds (distance) P-C4' energy: -53.468 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -24.717 tors. eta vs tors. theta energy: -67.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -542.686183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.686183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.686183 (E_RNA) where: Base-Base interactions energy: -336.308 where: short stacking energy: -154.971 Base-Backbone interact. energy: -0.107 local terms energy: -206.271168 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -44.490 flat angles C4'-P-C4' energy: -46.418 flat angles P-C4'-P energy: -32.858 tors. eta vs tors. theta energy: -32.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -517.642616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.642616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.642616 (E_RNA) where: Base-Base interactions energy: -307.082 where: short stacking energy: -142.650 Base-Backbone interact. energy: 3.472 local terms energy: -214.032952 where: bonds (distance) C4'-P energy: -55.991 bonds (distance) P-C4' energy: -52.648 flat angles C4'-P-C4' energy: -52.435 flat angles P-C4'-P energy: -28.238 tors. eta vs tors. theta energy: -24.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -374.047562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.047562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.047562 (E_RNA) where: Base-Base interactions energy: -188.334 where: short stacking energy: -92.834 Base-Backbone interact. energy: -0.782 local terms energy: -184.931279 where: bonds (distance) C4'-P energy: -54.501 bonds (distance) P-C4' energy: -46.655 flat angles C4'-P-C4' energy: -52.521 flat angles P-C4'-P energy: -21.833 tors. eta vs tors. theta energy: -9.420 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: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1070.154497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.154497 (E_RNA) where: Base-Base interactions energy: -759.165 where: short stacking energy: -309.378 Base-Backbone interact. energy: -0.898 local terms energy: -310.090942 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -62.803 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -82.220 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: 414 Temperature: 0.950000 Total energy: -1024.753283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.753283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.753283 (E_RNA) where: Base-Base interactions energy: -725.611 where: short stacking energy: -306.010 Base-Backbone interact. energy: -0.800 local terms energy: -298.342458 where: bonds (distance) C4'-P energy: -54.968 bonds (distance) P-C4' energy: -48.050 flat angles C4'-P-C4' energy: -61.495 flat angles P-C4'-P energy: -46.905 tors. eta vs tors. theta energy: -86.924 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: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -995.983176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.983176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.983176 (E_RNA) where: Base-Base interactions energy: -706.054 where: short stacking energy: -273.235 Base-Backbone interact. energy: -1.687 local terms energy: -288.241645 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -57.955 flat angles P-C4'-P energy: -39.405 tors. eta vs tors. theta energy: -76.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -956.499383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.499383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.499383 (E_RNA) where: Base-Base interactions energy: -662.856 where: short stacking energy: -283.154 Base-Backbone interact. energy: -0.050 local terms energy: -293.593639 where: bonds (distance) C4'-P energy: -49.059 bonds (distance) P-C4' energy: -64.660 flat angles C4'-P-C4' energy: -57.841 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: -84.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -898.590568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.590568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.590568 (E_RNA) where: Base-Base interactions energy: -659.297 where: short stacking energy: -270.697 Base-Backbone interact. energy: -2.294 local terms energy: -236.999894 where: bonds (distance) C4'-P energy: -40.916 bonds (distance) P-C4' energy: -44.003 flat angles C4'-P-C4' energy: -49.882 flat angles P-C4'-P energy: -27.055 tors. eta vs tors. theta energy: -75.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -846.486008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.486008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.486008 (E_RNA) where: Base-Base interactions energy: -596.377 where: short stacking energy: -243.887 Base-Backbone interact. energy: 0.130 local terms energy: -250.238417 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -50.095 flat angles C4'-P-C4' energy: -51.247 flat angles P-C4'-P energy: -26.140 tors. eta vs tors. theta energy: -68.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -797.137724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.137724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.137724 (E_RNA) where: Base-Base interactions energy: -531.619 where: short stacking energy: -237.138 Base-Backbone interact. energy: -1.417 local terms energy: -264.102674 where: bonds (distance) C4'-P energy: -56.252 bonds (distance) P-C4' energy: -51.793 flat angles C4'-P-C4' energy: -55.288 flat angles P-C4'-P energy: -35.802 tors. eta vs tors. theta energy: -64.967 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: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -550.641593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.641593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.641593 (E_RNA) where: Base-Base interactions energy: -345.156 where: short stacking energy: -171.980 Base-Backbone interact. energy: -1.371 local terms energy: -204.115430 where: bonds (distance) C4'-P energy: -47.287 bonds (distance) P-C4' energy: -53.554 flat angles C4'-P-C4' energy: -59.641 flat angles P-C4'-P energy: -19.338 tors. eta vs tors. theta energy: -24.295 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: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -475.621287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.621287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.621287 (E_RNA) where: Base-Base interactions energy: -293.821 where: short stacking energy: -163.639 Base-Backbone interact. energy: -0.244 local terms energy: -181.556741 where: bonds (distance) C4'-P energy: -35.445 bonds (distance) P-C4' energy: -50.624 flat angles C4'-P-C4' energy: -50.072 flat angles P-C4'-P energy: -23.570 tors. eta vs tors. theta energy: -21.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -410.120258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.120258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.120258 (E_RNA) where: Base-Base interactions energy: -255.378 where: short stacking energy: -117.451 Base-Backbone interact. energy: 5.153 local terms energy: -159.895610 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -38.803 flat angles C4'-P-C4' energy: -32.277 flat angles P-C4'-P energy: -28.753 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1062.757462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.757462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.757462 (E_RNA) where: Base-Base interactions energy: -757.847 where: short stacking energy: -309.482 Base-Backbone interact. energy: 0.466 local terms energy: -305.376876 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -39.820 tors. eta vs tors. theta energy: -85.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1043.716886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.716886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.716886 (E_RNA) where: Base-Base interactions energy: -745.910 where: short stacking energy: -300.859 Base-Backbone interact. energy: -2.259 local terms energy: -295.548533 where: bonds (distance) C4'-P energy: -52.322 bonds (distance) P-C4' energy: -54.867 flat angles C4'-P-C4' energy: -62.920 flat angles P-C4'-P energy: -40.794 tors. eta vs tors. theta energy: -84.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -999.140835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.140835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.140835 (E_RNA) where: Base-Base interactions energy: -711.798 where: short stacking energy: -274.572 Base-Backbone interact. energy: 1.868 local terms energy: -289.211149 where: bonds (distance) C4'-P energy: -52.210 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -64.891 flat angles P-C4'-P energy: -43.216 tors. eta vs tors. theta energy: -69.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -947.187481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.187481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.187481 (E_RNA) where: Base-Base interactions energy: -658.350 where: short stacking energy: -276.904 Base-Backbone interact. energy: 0.320 local terms energy: -289.157147 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -51.491 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -77.221 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: 415 Temperature: 1.100000 Total energy: -884.925711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.925711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.925711 (E_RNA) where: Base-Base interactions energy: -614.636 where: short stacking energy: -250.497 Base-Backbone interact. energy: 1.128 local terms energy: -271.418247 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -52.655 flat angles C4'-P-C4' energy: -57.303 flat angles P-C4'-P energy: -36.926 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: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -904.821970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.821970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.821970 (E_RNA) where: Base-Base interactions energy: -626.637 where: short stacking energy: -258.641 Base-Backbone interact. energy: -2.030 local terms energy: -276.154956 where: bonds (distance) C4'-P energy: -52.482 bonds (distance) P-C4' energy: -49.512 flat angles C4'-P-C4' energy: -59.540 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -73.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -776.372469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.372469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.372469 (E_RNA) where: Base-Base interactions energy: -525.970 where: short stacking energy: -220.475 Base-Backbone interact. energy: 1.038 local terms energy: -251.441121 where: bonds (distance) C4'-P energy: -54.461 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -60.479 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -56.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -635.101759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.101759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.101759 (E_RNA) where: Base-Base interactions energy: -404.800 where: short stacking energy: -182.011 Base-Backbone interact. energy: 0.351 local terms energy: -230.652676 where: bonds (distance) C4'-P energy: -58.708 bonds (distance) P-C4' energy: -51.275 flat angles C4'-P-C4' energy: -38.577 flat angles P-C4'-P energy: -39.932 tors. eta vs tors. theta energy: -42.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -454.325464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.325464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.325464 (E_RNA) where: Base-Base interactions energy: -266.047 where: short stacking energy: -129.218 Base-Backbone interact. energy: -1.065 local terms energy: -187.213839 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -49.989 flat angles C4'-P-C4' energy: -41.926 flat angles P-C4'-P energy: -23.013 tors. eta vs tors. theta energy: -17.671 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: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -439.520248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.520248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.520248 (E_RNA) where: Base-Base interactions energy: -258.191 where: short stacking energy: -124.990 Base-Backbone interact. energy: 1.701 local terms energy: -183.030076 where: bonds (distance) C4'-P energy: -40.249 bonds (distance) P-C4' energy: -46.848 flat angles C4'-P-C4' energy: -51.012 flat angles P-C4'-P energy: -35.694 tors. eta vs tors. theta energy: -9.227 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1064.017654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.017654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.017654 (E_RNA) where: Base-Base interactions energy: -750.446 where: short stacking energy: -318.677 Base-Backbone interact. energy: -0.785 local terms energy: -312.787371 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -61.840 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -39.269 tors. eta vs tors. theta energy: -87.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1036.946529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.946529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.946529 (E_RNA) where: Base-Base interactions energy: -754.104 where: short stacking energy: -305.605 Base-Backbone interact. energy: 1.598 local terms energy: -284.440745 where: bonds (distance) C4'-P energy: -48.582 bonds (distance) P-C4' energy: -54.296 flat angles C4'-P-C4' energy: -62.122 flat angles P-C4'-P energy: -31.075 tors. eta vs tors. theta energy: -88.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1039.329280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.329280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.329280 (E_RNA) where: Base-Base interactions energy: -735.237 where: short stacking energy: -291.981 Base-Backbone interact. energy: -1.515 local terms energy: -302.577859 where: bonds (distance) C4'-P energy: -54.117 bonds (distance) P-C4' energy: -62.827 flat angles C4'-P-C4' energy: -56.868 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: -82.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -952.128470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.128470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.128470 (E_RNA) where: Base-Base interactions energy: -665.239 where: short stacking energy: -277.056 Base-Backbone interact. energy: -2.838 local terms energy: -284.050967 where: bonds (distance) C4'-P energy: -52.859 bonds (distance) P-C4' energy: -54.324 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -75.642 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: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -907.126218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.126218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.126218 (E_RNA) where: Base-Base interactions energy: -639.731 where: short stacking energy: -269.073 Base-Backbone interact. energy: 0.872 local terms energy: -268.267493 where: bonds (distance) C4'-P energy: -49.259 bonds (distance) P-C4' energy: -48.700 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -915.911111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.911111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.911111 (E_RNA) where: Base-Base interactions energy: -650.348 where: short stacking energy: -268.296 Base-Backbone interact. energy: -0.775 local terms energy: -264.788229 where: bonds (distance) C4'-P energy: -51.368 bonds (distance) P-C4' energy: -39.659 flat angles C4'-P-C4' energy: -57.435 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -75.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -762.558508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.558508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.558508 (E_RNA) where: Base-Base interactions energy: -511.343 where: short stacking energy: -218.758 Base-Backbone interact. energy: -1.278 local terms energy: -249.937389 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -58.773 flat angles C4'-P-C4' energy: -50.375 flat angles P-C4'-P energy: -31.596 tors. eta vs tors. theta energy: -55.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -597.625782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.625782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.625782 (E_RNA) where: Base-Base interactions energy: -399.276 where: short stacking energy: -185.652 Base-Backbone interact. energy: -0.669 local terms energy: -197.681225 where: bonds (distance) C4'-P energy: -40.084 bonds (distance) P-C4' energy: -46.512 flat angles C4'-P-C4' energy: -46.950 flat angles P-C4'-P energy: -25.730 tors. eta vs tors. theta energy: -38.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -439.782958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.782958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.782958 (E_RNA) where: Base-Base interactions energy: -241.219 where: short stacking energy: -121.983 Base-Backbone interact. energy: -0.089 local terms energy: -198.474372 where: bonds (distance) C4'-P energy: -38.379 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -30.158 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -433.408332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.408332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.408332 (E_RNA) where: Base-Base interactions energy: -269.510 where: short stacking energy: -121.924 Base-Backbone interact. energy: 1.778 local terms energy: -165.676117 where: bonds (distance) C4'-P energy: -50.445 bonds (distance) P-C4' energy: -48.731 flat angles C4'-P-C4' energy: -45.684 flat angles P-C4'-P energy: -12.239 tors. eta vs tors. theta energy: -8.577 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: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1078.093926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.093926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.093926 (E_RNA) where: Base-Base interactions energy: -763.653 where: short stacking energy: -317.343 Base-Backbone interact. energy: -1.315 local terms energy: -313.125817 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -56.750 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -40.450 tors. eta vs tors. theta energy: -91.827 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1046.261187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.261187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.261187 (E_RNA) where: Base-Base interactions energy: -740.576 where: short stacking energy: -287.004 Base-Backbone interact. energy: -1.121 local terms energy: -304.564039 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -56.931 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -37.928 tors. eta vs tors. theta energy: -78.527 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: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1024.778875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.778875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.778875 (E_RNA) where: Base-Base interactions energy: -732.174 where: short stacking energy: -293.789 Base-Backbone interact. energy: -1.768 local terms energy: -290.836753 where: bonds (distance) C4'-P energy: -51.070 bonds (distance) P-C4' energy: -63.918 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -36.666 tors. eta vs tors. theta energy: -77.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -959.725801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.725801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.725801 (E_RNA) where: Base-Base interactions energy: -678.968 where: short stacking energy: -297.005 Base-Backbone interact. energy: -1.200 local terms energy: -279.557937 where: bonds (distance) C4'-P energy: -46.547 bonds (distance) P-C4' energy: -51.972 flat angles C4'-P-C4' energy: -64.589 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -79.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -937.773625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.773625 (E_RNA) where: Base-Base interactions energy: -662.718 where: short stacking energy: -263.595 Base-Backbone interact. energy: -0.925 local terms energy: -274.130516 where: bonds (distance) C4'-P energy: -60.207 bonds (distance) P-C4' energy: -48.973 flat angles C4'-P-C4' energy: -54.895 flat angles P-C4'-P energy: -32.762 tors. eta vs tors. theta energy: -77.293 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: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -912.829728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.829728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.829728 (E_RNA) where: Base-Base interactions energy: -650.911 where: short stacking energy: -291.462 Base-Backbone interact. energy: 1.806 local terms energy: -263.724547 where: bonds (distance) C4'-P energy: -44.295 bonds (distance) P-C4' energy: -48.941 flat angles C4'-P-C4' energy: -54.476 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -77.658 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: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -799.102145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.102145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.102145 (E_RNA) where: Base-Base interactions energy: -550.935 where: short stacking energy: -245.100 Base-Backbone interact. energy: -1.236 local terms energy: -246.931110 where: bonds (distance) C4'-P energy: -51.560 bonds (distance) P-C4' energy: -35.588 flat angles C4'-P-C4' energy: -53.636 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: -68.358 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: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -617.864760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.864760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.864760 (E_RNA) where: Base-Base interactions energy: -400.431 where: short stacking energy: -179.532 Base-Backbone interact. energy: 2.238 local terms energy: -219.672255 where: bonds (distance) C4'-P energy: -37.411 bonds (distance) P-C4' energy: -58.480 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -41.664 tors. eta vs tors. theta energy: -28.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -453.437733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.437733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.437733 (E_RNA) where: Base-Base interactions energy: -270.275 where: short stacking energy: -130.488 Base-Backbone interact. energy: -0.162 local terms energy: -183.000951 where: bonds (distance) C4'-P energy: -52.824 bonds (distance) P-C4' energy: -42.146 flat angles C4'-P-C4' energy: -51.822 flat angles P-C4'-P energy: -19.684 tors. eta vs tors. theta energy: -16.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -436.136490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.136490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.136490 (E_RNA) where: Base-Base interactions energy: -262.300 where: short stacking energy: -110.553 Base-Backbone interact. energy: 0.672 local terms energy: -174.507889 where: bonds (distance) C4'-P energy: -47.234 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -41.954 flat angles P-C4'-P energy: -22.163 tors. eta vs tors. theta energy: -7.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1055.970906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.970906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.970906 (E_RNA) where: Base-Base interactions energy: -740.362 where: short stacking energy: -315.344 Base-Backbone interact. energy: -1.260 local terms energy: -314.348174 where: bonds (distance) C4'-P energy: -57.227 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -59.871 flat angles P-C4'-P energy: -40.680 tors. eta vs tors. theta energy: -93.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1064.103268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.103268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.103268 (E_RNA) where: Base-Base interactions energy: -762.715 where: short stacking energy: -298.452 Base-Backbone interact. energy: -1.896 local terms energy: -299.492027 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -67.686 flat angles C4'-P-C4' energy: -58.015 flat angles P-C4'-P energy: -31.036 tors. eta vs tors. theta energy: -87.685 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: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1007.796679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.796679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.796679 (E_RNA) where: Base-Base interactions energy: -724.065 where: short stacking energy: -291.642 Base-Backbone interact. energy: -1.352 local terms energy: -282.379568 where: bonds (distance) C4'-P energy: -50.758 bonds (distance) P-C4' energy: -57.434 flat angles C4'-P-C4' energy: -58.496 flat angles P-C4'-P energy: -33.057 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: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -966.973286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.973286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.973286 (E_RNA) where: Base-Base interactions energy: -663.983 where: short stacking energy: -275.638 Base-Backbone interact. energy: -0.063 local terms energy: -302.926900 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -52.305 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: -75.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -899.327217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.327217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.327217 (E_RNA) where: Base-Base interactions energy: -614.165 where: short stacking energy: -257.247 Base-Backbone interact. energy: -0.994 local terms energy: -284.167726 where: bonds (distance) C4'-P energy: -57.194 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -68.206 flat angles P-C4'-P energy: -34.596 tors. eta vs tors. theta energy: -67.112 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: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -878.651783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.651783 (E_RNA) where: Base-Base interactions energy: -608.022 where: short stacking energy: -248.827 Base-Backbone interact. energy: -0.775 local terms energy: -269.854748 where: bonds (distance) C4'-P energy: -49.085 bonds (distance) P-C4' energy: -49.573 flat angles C4'-P-C4' energy: -58.382 flat angles P-C4'-P energy: -30.009 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: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -807.276357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.276357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.276357 (E_RNA) where: Base-Base interactions energy: -540.086 where: short stacking energy: -223.832 Base-Backbone interact. energy: 0.096 local terms energy: -267.286348 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -43.532 flat angles C4'-P-C4' energy: -64.877 flat angles P-C4'-P energy: -44.215 tors. eta vs tors. theta energy: -59.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -568.342386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.342386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.342386 (E_RNA) where: Base-Base interactions energy: -362.487 where: short stacking energy: -164.742 Base-Backbone interact. energy: 1.325 local terms energy: -207.181154 where: bonds (distance) C4'-P energy: -47.318 bonds (distance) P-C4' energy: -53.550 flat angles C4'-P-C4' energy: -49.560 flat angles P-C4'-P energy: -26.783 tors. eta vs tors. theta energy: -29.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -498.497748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.497748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.497748 (E_RNA) where: Base-Base interactions energy: -315.819 where: short stacking energy: -149.904 Base-Backbone interact. energy: 0.748 local terms energy: -183.426858 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -48.971 flat angles C4'-P-C4' energy: -42.719 flat angles P-C4'-P energy: -21.673 tors. eta vs tors. theta energy: -12.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -416.882193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.882193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.882193 (E_RNA) where: Base-Base interactions energy: -221.285 where: short stacking energy: -103.454 Base-Backbone interact. energy: 1.718 local terms energy: -197.315113 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -48.904 flat angles C4'-P-C4' energy: -53.824 flat angles P-C4'-P energy: -29.936 tors. eta vs tors. theta energy: -10.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1075.932077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.932077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.932077 (E_RNA) where: Base-Base interactions energy: -754.741 where: short stacking energy: -313.512 Base-Backbone interact. energy: -1.360 local terms energy: -319.831157 where: bonds (distance) C4'-P energy: -61.485 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -83.884 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: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1069.164473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.164473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.164473 (E_RNA) where: Base-Base interactions energy: -755.336 where: short stacking energy: -293.825 Base-Backbone interact. energy: -1.668 local terms energy: -312.160689 where: bonds (distance) C4'-P energy: -65.022 bonds (distance) P-C4' energy: -61.891 flat angles C4'-P-C4' energy: -61.595 flat angles P-C4'-P energy: -38.404 tors. eta vs tors. theta energy: -85.249 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: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1023.569632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.569632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.569632 (E_RNA) where: Base-Base interactions energy: -739.712 where: short stacking energy: -287.292 Base-Backbone interact. energy: -1.157 local terms energy: -282.699859 where: bonds (distance) C4'-P energy: -48.535 bonds (distance) P-C4' energy: -49.142 flat angles C4'-P-C4' energy: -62.732 flat angles P-C4'-P energy: -38.788 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: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -902.700177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.700177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.700177 (E_RNA) where: Base-Base interactions energy: -624.392 where: short stacking energy: -260.365 Base-Backbone interact. energy: -1.187 local terms energy: -277.121277 where: bonds (distance) C4'-P energy: -49.122 bonds (distance) P-C4' energy: -63.012 flat angles C4'-P-C4' energy: -54.008 flat angles P-C4'-P energy: -39.017 tors. eta vs tors. theta energy: -71.962 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: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -954.772686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.772686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.772686 (E_RNA) where: Base-Base interactions energy: -664.070 where: short stacking energy: -266.551 Base-Backbone interact. energy: -0.495 local terms energy: -290.207859 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -59.486 flat angles C4'-P-C4' energy: -60.653 flat angles P-C4'-P energy: -32.826 tors. eta vs tors. theta energy: -82.927 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: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -893.764068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.764068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.764068 (E_RNA) where: Base-Base interactions energy: -636.155 where: short stacking energy: -262.028 Base-Backbone interact. energy: 0.495 local terms energy: -258.103374 where: bonds (distance) C4'-P energy: -36.058 bonds (distance) P-C4' energy: -57.666 flat angles C4'-P-C4' energy: -58.345 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: -68.651 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: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -783.401165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.401165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.401165 (E_RNA) where: Base-Base interactions energy: -563.892 where: short stacking energy: -246.132 Base-Backbone interact. energy: -0.093 local terms energy: -219.416241 where: bonds (distance) C4'-P energy: -30.977 bonds (distance) P-C4' energy: -40.602 flat angles C4'-P-C4' energy: -55.890 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -54.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -581.328052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.328052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.328052 (E_RNA) where: Base-Base interactions energy: -382.584 where: short stacking energy: -163.802 Base-Backbone interact. energy: -1.450 local terms energy: -197.294608 where: bonds (distance) C4'-P energy: -47.623 bonds (distance) P-C4' energy: -46.513 flat angles C4'-P-C4' energy: -48.988 flat angles P-C4'-P energy: -28.251 tors. eta vs tors. theta energy: -25.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -479.995312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.995312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.995312 (E_RNA) where: Base-Base interactions energy: -270.115 where: short stacking energy: -129.383 Base-Backbone interact. energy: 2.737 local terms energy: -212.617712 where: bonds (distance) C4'-P energy: -52.724 bonds (distance) P-C4' energy: -57.818 flat angles C4'-P-C4' energy: -53.465 flat angles P-C4'-P energy: -31.087 tors. eta vs tors. theta energy: -17.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -408.299844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.299844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.299844 (E_RNA) where: Base-Base interactions energy: -236.522 where: short stacking energy: -120.949 Base-Backbone interact. energy: 1.501 local terms energy: -173.278558 where: bonds (distance) C4'-P energy: -37.527 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -47.666 flat angles P-C4'-P energy: -19.407 tors. eta vs tors. theta energy: -9.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1071.283828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.283828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.283828 (E_RNA) where: Base-Base interactions energy: -751.878 where: short stacking energy: -301.950 Base-Backbone interact. energy: -0.633 local terms energy: -318.773325 where: bonds (distance) C4'-P energy: -65.616 bonds (distance) P-C4' energy: -52.647 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -90.342 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: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1055.252254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.252254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.252254 (E_RNA) where: Base-Base interactions energy: -762.346 where: short stacking energy: -298.244 Base-Backbone interact. energy: -0.456 local terms energy: -292.450136 where: bonds (distance) C4'-P energy: -52.078 bonds (distance) P-C4' energy: -54.711 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -81.084 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: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1018.371739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.371739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.371739 (E_RNA) where: Base-Base interactions energy: -716.844 where: short stacking energy: -266.566 Base-Backbone interact. energy: -0.393 local terms energy: -301.134964 where: bonds (distance) C4'-P energy: -54.214 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -62.662 flat angles P-C4'-P energy: -42.819 tors. eta vs tors. theta energy: -81.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -934.904654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.904654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.904654 (E_RNA) where: Base-Base interactions energy: -648.420 where: short stacking energy: -262.661 Base-Backbone interact. energy: -2.802 local terms energy: -283.682920 where: bonds (distance) C4'-P energy: -51.345 bonds (distance) P-C4' energy: -51.776 flat angles C4'-P-C4' energy: -59.360 flat angles P-C4'-P energy: -39.679 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: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -943.564124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.564124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.564124 (E_RNA) where: Base-Base interactions energy: -665.721 where: short stacking energy: -273.043 Base-Backbone interact. energy: -0.473 local terms energy: -277.370205 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -43.725 flat angles C4'-P-C4' energy: -60.576 flat angles P-C4'-P energy: -28.335 tors. eta vs tors. theta energy: -84.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -877.430084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.430084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.430084 (E_RNA) where: Base-Base interactions energy: -614.311 where: short stacking energy: -227.300 Base-Backbone interact. energy: 0.377 local terms energy: -263.496951 where: bonds (distance) C4'-P energy: -52.816 bonds (distance) P-C4' energy: -59.369 flat angles C4'-P-C4' energy: -55.595 flat angles P-C4'-P energy: -34.626 tors. eta vs tors. theta energy: -61.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -790.475989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.475989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.475989 (E_RNA) where: Base-Base interactions energy: -518.015 where: short stacking energy: -225.102 Base-Backbone interact. energy: 0.783 local terms energy: -273.243354 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -58.384 flat angles P-C4'-P energy: -42.047 tors. eta vs tors. theta energy: -56.029 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: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -587.980080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.980080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.980080 (E_RNA) where: Base-Base interactions energy: -370.393 where: short stacking energy: -154.680 Base-Backbone interact. energy: 1.462 local terms energy: -219.048494 where: bonds (distance) C4'-P energy: -57.287 bonds (distance) P-C4' energy: -55.085 flat angles C4'-P-C4' energy: -44.630 flat angles P-C4'-P energy: -32.262 tors. eta vs tors. theta energy: -29.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -454.505505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.505505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.505505 (E_RNA) where: Base-Base interactions energy: -264.182 where: short stacking energy: -129.899 Base-Backbone interact. energy: -0.383 local terms energy: -189.940965 where: bonds (distance) C4'-P energy: -45.973 bonds (distance) P-C4' energy: -38.883 flat angles C4'-P-C4' energy: -50.748 flat angles P-C4'-P energy: -30.130 tors. eta vs tors. theta energy: -24.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -391.861501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.861501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.861501 (E_RNA) where: Base-Base interactions energy: -221.408 where: short stacking energy: -107.003 Base-Backbone interact. energy: -1.017 local terms energy: -169.436461 where: bonds (distance) C4'-P energy: -48.529 bonds (distance) P-C4' energy: -48.859 flat angles C4'-P-C4' energy: -51.358 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -10.193 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: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1063.313661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.313661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.313661 (E_RNA) where: Base-Base interactions energy: -744.235 where: short stacking energy: -314.736 Base-Backbone interact. energy: -0.996 local terms energy: -318.082153 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -72.761 flat angles P-C4'-P energy: -41.671 tors. eta vs tors. theta energy: -87.609 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: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1054.630145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.630145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.630145 (E_RNA) where: Base-Base interactions energy: -738.799 where: short stacking energy: -289.632 Base-Backbone interact. energy: -0.780 local terms energy: -315.051552 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -55.447 flat angles C4'-P-C4' energy: -67.783 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -83.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1029.353200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.353200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.353200 (E_RNA) where: Base-Base interactions energy: -727.597 where: short stacking energy: -280.814 Base-Backbone interact. energy: -1.496 local terms energy: -300.260596 where: bonds (distance) C4'-P energy: -54.233 bonds (distance) P-C4' energy: -55.381 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -44.223 tors. eta vs tors. theta energy: -79.319 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: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -934.490741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.490741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.490741 (E_RNA) where: Base-Base interactions energy: -656.474 where: short stacking energy: -286.991 Base-Backbone interact. energy: -0.516 local terms energy: -277.500496 where: bonds (distance) C4'-P energy: -44.872 bonds (distance) P-C4' energy: -47.749 flat angles C4'-P-C4' energy: -57.857 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -946.308309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.308309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.308309 (E_RNA) where: Base-Base interactions energy: -650.451 where: short stacking energy: -269.490 Base-Backbone interact. energy: -0.883 local terms energy: -294.973991 where: bonds (distance) C4'-P energy: -53.711 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -64.662 flat angles P-C4'-P energy: -36.385 tors. eta vs tors. theta energy: -86.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -897.182017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.182017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.182017 (E_RNA) where: Base-Base interactions energy: -620.221 where: short stacking energy: -261.771 Base-Backbone interact. energy: -1.629 local terms energy: -275.331274 where: bonds (distance) C4'-P energy: -47.111 bonds (distance) P-C4' energy: -54.790 flat angles C4'-P-C4' energy: -61.919 flat angles P-C4'-P energy: -41.210 tors. eta vs tors. theta energy: -70.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -781.919107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.919107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.919107 (E_RNA) where: Base-Base interactions energy: -532.709 where: short stacking energy: -237.369 Base-Backbone interact. energy: 0.489 local terms energy: -249.699510 where: bonds (distance) C4'-P energy: -49.585 bonds (distance) P-C4' energy: -49.234 flat angles C4'-P-C4' energy: -50.784 flat angles P-C4'-P energy: -39.858 tors. eta vs tors. theta energy: -60.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -614.018601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.018601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.018601 (E_RNA) where: Base-Base interactions energy: -399.211 where: short stacking energy: -188.912 Base-Backbone interact. energy: -0.945 local terms energy: -213.862796 where: bonds (distance) C4'-P energy: -43.280 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -51.258 flat angles P-C4'-P energy: -23.757 tors. eta vs tors. theta energy: -40.447 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: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -460.609059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.609059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.609059 (E_RNA) where: Base-Base interactions energy: -267.682 where: short stacking energy: -119.942 Base-Backbone interact. energy: -1.133 local terms energy: -191.794478 where: bonds (distance) C4'-P energy: -53.210 bonds (distance) P-C4' energy: -56.459 flat angles C4'-P-C4' energy: -35.173 flat angles P-C4'-P energy: -29.732 tors. eta vs tors. theta energy: -17.220 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: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -422.210161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.210161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.210161 (E_RNA) where: Base-Base interactions energy: -237.505 where: short stacking energy: -108.737 Base-Backbone interact. energy: -0.451 local terms energy: -184.253889 where: bonds (distance) C4'-P energy: -48.242 bonds (distance) P-C4' energy: -48.109 flat angles C4'-P-C4' energy: -49.127 flat angles P-C4'-P energy: -28.696 tors. eta vs tors. theta energy: -10.080 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: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1075.052076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.052076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.052076 (E_RNA) where: Base-Base interactions energy: -766.937 where: short stacking energy: -331.073 Base-Backbone interact. energy: -0.280 local terms energy: -307.834998 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -58.718 flat angles C4'-P-C4' energy: -61.078 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -89.565 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1046.881317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.881317 (E_RNA) where: Base-Base interactions energy: -738.668 where: short stacking energy: -299.455 Base-Backbone interact. energy: -0.744 local terms energy: -307.469501 where: bonds (distance) C4'-P energy: -56.624 bonds (distance) P-C4' energy: -60.523 flat angles C4'-P-C4' energy: -62.101 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -81.972 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: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1033.338335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.338335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.338335 (E_RNA) where: Base-Base interactions energy: -727.505 where: short stacking energy: -283.129 Base-Backbone interact. energy: -0.168 local terms energy: -305.664938 where: bonds (distance) C4'-P energy: -64.980 bonds (distance) P-C4' energy: -54.122 flat angles C4'-P-C4' energy: -57.931 flat angles P-C4'-P energy: -52.166 tors. eta vs tors. theta energy: -76.467 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: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -946.995602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.995602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.995602 (E_RNA) where: Base-Base interactions energy: -672.687 where: short stacking energy: -275.172 Base-Backbone interact. energy: 0.883 local terms energy: -275.190840 where: bonds (distance) C4'-P energy: -54.488 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -58.715 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -73.911 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: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -900.298287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.298287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.298287 (E_RNA) where: Base-Base interactions energy: -640.619 where: short stacking energy: -249.479 Base-Backbone interact. energy: -1.516 local terms energy: -258.163300 where: bonds (distance) C4'-P energy: -55.797 bonds (distance) P-C4' energy: -52.453 flat angles C4'-P-C4' energy: -52.531 flat angles P-C4'-P energy: -39.892 tors. eta vs tors. theta energy: -57.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -901.070953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.070953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.070953 (E_RNA) where: Base-Base interactions energy: -622.158 where: short stacking energy: -262.545 Base-Backbone interact. energy: -0.308 local terms energy: -278.605221 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -51.606 flat angles C4'-P-C4' energy: -57.971 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -73.756 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: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -780.063298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.063298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.063298 (E_RNA) where: Base-Base interactions energy: -520.811 where: short stacking energy: -237.225 Base-Backbone interact. energy: -2.172 local terms energy: -257.080062 where: bonds (distance) C4'-P energy: -48.456 bonds (distance) P-C4' energy: -48.708 flat angles C4'-P-C4' energy: -63.239 flat angles P-C4'-P energy: -41.575 tors. eta vs tors. theta energy: -55.102 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: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -590.849661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.849661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.849661 (E_RNA) where: Base-Base interactions energy: -374.452 where: short stacking energy: -168.224 Base-Backbone interact. energy: -0.763 local terms energy: -215.634417 where: bonds (distance) C4'-P energy: -41.101 bonds (distance) P-C4' energy: -49.726 flat angles C4'-P-C4' energy: -54.743 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -35.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -475.422372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.422372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.422372 (E_RNA) where: Base-Base interactions energy: -287.714 where: short stacking energy: -140.390 Base-Backbone interact. energy: 1.882 local terms energy: -189.590118 where: bonds (distance) C4'-P energy: -44.427 bonds (distance) P-C4' energy: -56.517 flat angles C4'-P-C4' energy: -47.721 flat angles P-C4'-P energy: -19.662 tors. eta vs tors. theta energy: -21.263 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: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -442.789495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.789495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.789495 (E_RNA) where: Base-Base interactions energy: -278.566 where: short stacking energy: -120.712 Base-Backbone interact. energy: 3.405 local terms energy: -167.628265 where: bonds (distance) C4'-P energy: -31.938 bonds (distance) P-C4' energy: -54.150 flat angles C4'-P-C4' energy: -37.191 flat angles P-C4'-P energy: -31.080 tors. eta vs tors. theta energy: -13.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1076.949300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.949300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.949300 (E_RNA) where: Base-Base interactions energy: -755.953 where: short stacking energy: -318.423 Base-Backbone interact. energy: -1.085 local terms energy: -319.911126 where: bonds (distance) C4'-P energy: -59.815 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -63.900 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: -98.578 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: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1035.862962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.862962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.862962 (E_RNA) where: Base-Base interactions energy: -735.282 where: short stacking energy: -305.610 Base-Backbone interact. energy: -0.727 local terms energy: -299.854509 where: bonds (distance) C4'-P energy: -55.494 bonds (distance) P-C4' energy: -56.969 flat angles C4'-P-C4' energy: -60.931 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -82.362 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: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1019.462359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.462359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.462359 (E_RNA) where: Base-Base interactions energy: -724.106 where: short stacking energy: -287.480 Base-Backbone interact. energy: -0.839 local terms energy: -294.517169 where: bonds (distance) C4'-P energy: -55.220 bonds (distance) P-C4' energy: -48.584 flat angles C4'-P-C4' energy: -67.357 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -83.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -939.755894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.755894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.755894 (E_RNA) where: Base-Base interactions energy: -649.774 where: short stacking energy: -294.025 Base-Backbone interact. energy: -1.094 local terms energy: -288.888189 where: bonds (distance) C4'-P energy: -48.244 bonds (distance) P-C4' energy: -56.746 flat angles C4'-P-C4' energy: -61.896 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -82.534 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: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -925.273619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.273619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.273619 (E_RNA) where: Base-Base interactions energy: -647.943 where: short stacking energy: -283.412 Base-Backbone interact. energy: -0.775 local terms energy: -276.555197 where: bonds (distance) C4'-P energy: -52.898 bonds (distance) P-C4' energy: -52.962 flat angles C4'-P-C4' energy: -57.144 flat angles P-C4'-P energy: -36.333 tors. eta vs tors. theta energy: -77.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -881.523612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.523612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.523612 (E_RNA) where: Base-Base interactions energy: -617.729 where: short stacking energy: -273.265 Base-Backbone interact. energy: -0.258 local terms energy: -263.536176 where: bonds (distance) C4'-P energy: -51.765 bonds (distance) P-C4' energy: -51.999 flat angles C4'-P-C4' energy: -51.199 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -68.357 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: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -749.853059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.853059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.853059 (E_RNA) where: Base-Base interactions energy: -510.453 where: short stacking energy: -232.172 Base-Backbone interact. energy: -0.572 local terms energy: -238.827830 where: bonds (distance) C4'-P energy: -42.251 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -51.459 flat angles P-C4'-P energy: -31.560 tors. eta vs tors. theta energy: -56.471 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: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -607.139100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.139100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.139100 (E_RNA) where: Base-Base interactions energy: -395.769 where: short stacking energy: -168.131 Base-Backbone interact. energy: 0.174 local terms energy: -211.543987 where: bonds (distance) C4'-P energy: -49.159 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -54.730 flat angles P-C4'-P energy: -25.511 tors. eta vs tors. theta energy: -30.239 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: 1 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -448.202625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.202625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.202625 (E_RNA) where: Base-Base interactions energy: -251.267 where: short stacking energy: -128.836 Base-Backbone interact. energy: -1.424 local terms energy: -195.511317 where: bonds (distance) C4'-P energy: -49.316 bonds (distance) P-C4' energy: -54.592 flat angles C4'-P-C4' energy: -46.777 flat angles P-C4'-P energy: -26.713 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: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -390.078720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.078720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.078720 (E_RNA) where: Base-Base interactions energy: -253.751 where: short stacking energy: -113.993 Base-Backbone interact. energy: -0.974 local terms energy: -135.354515 where: bonds (distance) C4'-P energy: -44.553 bonds (distance) P-C4' energy: -33.734 flat angles C4'-P-C4' energy: -26.689 flat angles P-C4'-P energy: -25.402 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1057.782809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.782809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.782809 (E_RNA) where: Base-Base interactions energy: -735.883 where: short stacking energy: -313.640 Base-Backbone interact. energy: -1.605 local terms energy: -320.294422 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -65.145 flat angles C4'-P-C4' energy: -66.726 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: -93.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1038.452291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.452291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.452291 (E_RNA) where: Base-Base interactions energy: -746.097 where: short stacking energy: -287.013 Base-Backbone interact. energy: 0.911 local terms energy: -293.266509 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -41.758 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -38.588 tors. eta vs tors. theta energy: -84.194 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: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1007.855200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.855200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.855200 (E_RNA) where: Base-Base interactions energy: -703.430 where: short stacking energy: -286.581 Base-Backbone interact. energy: -1.101 local terms energy: -303.323792 where: bonds (distance) C4'-P energy: -50.384 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -47.409 tors. eta vs tors. theta energy: -83.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -935.010434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.010434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.010434 (E_RNA) where: Base-Base interactions energy: -642.671 where: short stacking energy: -278.457 Base-Backbone interact. energy: -0.748 local terms energy: -291.591099 where: bonds (distance) C4'-P energy: -52.707 bonds (distance) P-C4' energy: -53.660 flat angles C4'-P-C4' energy: -62.174 flat angles P-C4'-P energy: -41.849 tors. eta vs tors. theta energy: -81.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -931.660419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.660419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.660419 (E_RNA) where: Base-Base interactions energy: -657.931 where: short stacking energy: -278.393 Base-Backbone interact. energy: -0.971 local terms energy: -272.758627 where: bonds (distance) C4'-P energy: -48.596 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -55.701 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -73.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -915.855094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.855094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.855094 (E_RNA) where: Base-Base interactions energy: -635.090 where: short stacking energy: -272.800 Base-Backbone interact. energy: -1.257 local terms energy: -279.507921 where: bonds (distance) C4'-P energy: -49.780 bonds (distance) P-C4' energy: -58.426 flat angles C4'-P-C4' energy: -64.059 flat angles P-C4'-P energy: -30.939 tors. eta vs tors. theta energy: -76.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -782.481284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.481284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.481284 (E_RNA) where: Base-Base interactions energy: -515.792 where: short stacking energy: -247.807 Base-Backbone interact. energy: -2.520 local terms energy: -264.169483 where: bonds (distance) C4'-P energy: -53.089 bonds (distance) P-C4' energy: -46.938 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -63.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -618.676398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.676398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.676398 (E_RNA) where: Base-Base interactions energy: -394.923 where: short stacking energy: -181.687 Base-Backbone interact. energy: -0.770 local terms energy: -222.982906 where: bonds (distance) C4'-P energy: -46.825 bonds (distance) P-C4' energy: -49.709 flat angles C4'-P-C4' energy: -55.789 flat angles P-C4'-P energy: -35.808 tors. eta vs tors. theta energy: -34.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -444.800492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.800492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.800492 (E_RNA) where: Base-Base interactions energy: -269.656 where: short stacking energy: -128.311 Base-Backbone interact. energy: -0.091 local terms energy: -175.053842 where: bonds (distance) C4'-P energy: -35.024 bonds (distance) P-C4' energy: -55.727 flat angles C4'-P-C4' energy: -44.469 flat angles P-C4'-P energy: -25.518 tors. eta vs tors. theta energy: -14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -441.317430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.317430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.317430 (E_RNA) where: Base-Base interactions energy: -265.243 where: short stacking energy: -111.657 Base-Backbone interact. energy: -2.014 local terms energy: -174.060794 where: bonds (distance) C4'-P energy: -40.314 bonds (distance) P-C4' energy: -44.024 flat angles C4'-P-C4' energy: -43.807 flat angles P-C4'-P energy: -25.820 tors. eta vs tors. theta energy: -20.096 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: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1060.603853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.603853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.603853 (E_RNA) where: Base-Base interactions energy: -762.097 where: short stacking energy: -309.968 Base-Backbone interact. energy: -0.298 local terms energy: -298.208823 where: bonds (distance) C4'-P energy: -50.743 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -66.420 flat angles P-C4'-P energy: -40.711 tors. eta vs tors. theta energy: -80.770 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: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1032.591248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.591248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.591248 (E_RNA) where: Base-Base interactions energy: -750.261 where: short stacking energy: -297.626 Base-Backbone interact. energy: -1.169 local terms energy: -281.161537 where: bonds (distance) C4'-P energy: -44.165 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -59.599 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -76.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1035.212506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.212506 (E_RNA) where: Base-Base interactions energy: -733.981 where: short stacking energy: -282.332 Base-Backbone interact. energy: -2.005 local terms energy: -299.226348 where: bonds (distance) C4'-P energy: -54.091 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -41.106 tors. eta vs tors. theta energy: -82.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -969.170666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.170666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.170666 (E_RNA) where: Base-Base interactions energy: -697.538 where: short stacking energy: -287.052 Base-Backbone interact. energy: -1.155 local terms energy: -270.477531 where: bonds (distance) C4'-P energy: -51.184 bonds (distance) P-C4' energy: -52.009 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -33.583 tors. eta vs tors. theta energy: -73.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -937.861607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.861607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.861607 (E_RNA) where: Base-Base interactions energy: -655.686 where: short stacking energy: -281.762 Base-Backbone interact. energy: -0.241 local terms energy: -281.934438 where: bonds (distance) C4'-P energy: -47.045 bonds (distance) P-C4' energy: -47.333 flat angles C4'-P-C4' energy: -62.230 flat angles P-C4'-P energy: -42.224 tors. eta vs tors. theta energy: -83.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -926.600671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.600671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.600671 (E_RNA) where: Base-Base interactions energy: -661.605 where: short stacking energy: -272.428 Base-Backbone interact. energy: 0.763 local terms energy: -265.758478 where: bonds (distance) C4'-P energy: -43.952 bonds (distance) P-C4' energy: -44.629 flat angles C4'-P-C4' energy: -56.332 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -83.830 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: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -819.923061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.923061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.923061 (E_RNA) where: Base-Base interactions energy: -566.629 where: short stacking energy: -260.810 Base-Backbone interact. energy: 1.534 local terms energy: -254.827637 where: bonds (distance) C4'-P energy: -47.006 bonds (distance) P-C4' energy: -45.206 flat angles C4'-P-C4' energy: -49.141 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -72.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -613.297508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.297508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.297508 (E_RNA) where: Base-Base interactions energy: -392.602 where: short stacking energy: -179.458 Base-Backbone interact. energy: -0.489 local terms energy: -220.206207 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -53.820 flat angles C4'-P-C4' energy: -45.672 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -33.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -440.033149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.033149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.033149 (E_RNA) where: Base-Base interactions energy: -263.734 where: short stacking energy: -142.352 Base-Backbone interact. energy: 1.859 local terms energy: -178.158562 where: bonds (distance) C4'-P energy: -41.554 bonds (distance) P-C4' energy: -56.063 flat angles C4'-P-C4' energy: -38.465 flat angles P-C4'-P energy: -28.309 tors. eta vs tors. theta energy: -13.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -420.593336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.593336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.593336 (E_RNA) where: Base-Base interactions energy: -237.009 where: short stacking energy: -122.064 Base-Backbone interact. energy: -0.819 local terms energy: -182.765314 where: bonds (distance) C4'-P energy: -44.682 bonds (distance) P-C4' energy: -43.807 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -27.264 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1048.602370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.602370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.602370 (E_RNA) where: Base-Base interactions energy: -730.866 where: short stacking energy: -310.353 Base-Backbone interact. energy: -0.835 local terms energy: -316.901910 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -41.606 tors. eta vs tors. theta energy: -85.771 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: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1039.530366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.530366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.530366 (E_RNA) where: Base-Base interactions energy: -740.536 where: short stacking energy: -290.829 Base-Backbone interact. energy: -1.349 local terms energy: -297.645129 where: bonds (distance) C4'-P energy: -52.213 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -60.209 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -78.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1009.371368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.371368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.371368 (E_RNA) where: Base-Base interactions energy: -713.510 where: short stacking energy: -287.517 Base-Backbone interact. energy: 1.007 local terms energy: -296.867536 where: bonds (distance) C4'-P energy: -56.027 bonds (distance) P-C4' energy: -52.512 flat angles C4'-P-C4' energy: -58.364 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -82.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -959.146513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.146513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.146513 (E_RNA) where: Base-Base interactions energy: -669.124 where: short stacking energy: -276.087 Base-Backbone interact. energy: -0.590 local terms energy: -289.432329 where: bonds (distance) C4'-P energy: -57.896 bonds (distance) P-C4' energy: -50.840 flat angles C4'-P-C4' energy: -60.537 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -76.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -943.434619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.434619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.434619 (E_RNA) where: Base-Base interactions energy: -664.180 where: short stacking energy: -274.763 Base-Backbone interact. energy: -0.885 local terms energy: -278.369921 where: bonds (distance) C4'-P energy: -60.006 bonds (distance) P-C4' energy: -44.186 flat angles C4'-P-C4' energy: -63.092 flat angles P-C4'-P energy: -30.776 tors. eta vs tors. theta energy: -80.310 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: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -880.362178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.362178 (E_RNA) where: Base-Base interactions energy: -608.078 where: short stacking energy: -256.916 Base-Backbone interact. energy: -1.907 local terms energy: -270.377104 where: bonds (distance) C4'-P energy: -60.317 bonds (distance) P-C4' energy: -46.034 flat angles C4'-P-C4' energy: -60.318 flat angles P-C4'-P energy: -33.191 tors. eta vs tors. theta energy: -70.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -766.107438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.107438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.107438 (E_RNA) where: Base-Base interactions energy: -530.143 where: short stacking energy: -249.604 Base-Backbone interact. energy: 0.525 local terms energy: -236.489254 where: bonds (distance) C4'-P energy: -39.911 bonds (distance) P-C4' energy: -44.322 flat angles C4'-P-C4' energy: -49.928 flat angles P-C4'-P energy: -36.960 tors. eta vs tors. theta energy: -65.368 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: 8, replica: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -598.400559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.400559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.400559 (E_RNA) where: Base-Base interactions energy: -381.576 where: short stacking energy: -177.924 Base-Backbone interact. energy: 0.977 local terms energy: -217.801456 where: bonds (distance) C4'-P energy: -47.713 bonds (distance) P-C4' energy: -45.360 flat angles C4'-P-C4' energy: -43.140 flat angles P-C4'-P energy: -30.170 tors. eta vs tors. theta energy: -51.419 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: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -476.834690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.834690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.834690 (E_RNA) where: Base-Base interactions energy: -275.696 where: short stacking energy: -140.410 Base-Backbone interact. energy: -1.351 local terms energy: -199.786851 where: bonds (distance) C4'-P energy: -47.713 bonds (distance) P-C4' energy: -47.331 flat angles C4'-P-C4' energy: -53.385 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -403.287718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.287718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.287718 (E_RNA) where: Base-Base interactions energy: -226.000 where: short stacking energy: -95.617 Base-Backbone interact. energy: -0.467 local terms energy: -176.820900 where: bonds (distance) C4'-P energy: -53.906 bonds (distance) P-C4' energy: -54.458 flat angles C4'-P-C4' energy: -53.685 flat angles P-C4'-P energy: -22.149 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1062.642501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.642501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.642501 (E_RNA) where: Base-Base interactions energy: -759.055 where: short stacking energy: -317.924 Base-Backbone interact. energy: -1.038 local terms energy: -302.550093 where: bonds (distance) C4'-P energy: -56.176 bonds (distance) P-C4' energy: -53.351 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -83.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1055.750349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.750349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.750349 (E_RNA) where: Base-Base interactions energy: -744.906 where: short stacking energy: -302.782 Base-Backbone interact. energy: -1.950 local terms energy: -308.894082 where: bonds (distance) C4'-P energy: -49.771 bonds (distance) P-C4' energy: -67.319 flat angles C4'-P-C4' energy: -62.172 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -85.228 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: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1048.123506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.123506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.123506 (E_RNA) where: Base-Base interactions energy: -746.662 where: short stacking energy: -294.183 Base-Backbone interact. energy: 2.436 local terms energy: -303.898120 where: bonds (distance) C4'-P energy: -61.570 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -64.523 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: -80.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -946.017286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.017286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.017286 (E_RNA) where: Base-Base interactions energy: -658.307 where: short stacking energy: -282.061 Base-Backbone interact. energy: -2.370 local terms energy: -285.340530 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -55.613 flat angles C4'-P-C4' energy: -53.728 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: -82.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -955.086364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.086364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.086364 (E_RNA) where: Base-Base interactions energy: -677.648 where: short stacking energy: -285.041 Base-Backbone interact. energy: -1.654 local terms energy: -275.783604 where: bonds (distance) C4'-P energy: -49.271 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -51.611 flat angles P-C4'-P energy: -38.374 tors. eta vs tors. theta energy: -77.113 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: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -875.646287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.646287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.646287 (E_RNA) where: Base-Base interactions energy: -610.058 where: short stacking energy: -227.217 Base-Backbone interact. energy: -1.990 local terms energy: -263.598311 where: bonds (distance) C4'-P energy: -43.101 bonds (distance) P-C4' energy: -56.725 flat angles C4'-P-C4' energy: -64.112 flat angles P-C4'-P energy: -28.520 tors. eta vs tors. theta energy: -71.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -737.130096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.130096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.130096 (E_RNA) where: Base-Base interactions energy: -470.847 where: short stacking energy: -222.506 Base-Backbone interact. energy: -1.936 local terms energy: -264.346983 where: bonds (distance) C4'-P energy: -58.457 bonds (distance) P-C4' energy: -59.204 flat angles C4'-P-C4' energy: -58.590 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: -55.598 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: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -614.314515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.314515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.314515 (E_RNA) where: Base-Base interactions energy: -405.076 where: short stacking energy: -179.341 Base-Backbone interact. energy: -0.802 local terms energy: -208.436491 where: bonds (distance) C4'-P energy: -39.642 bonds (distance) P-C4' energy: -50.468 flat angles C4'-P-C4' energy: -49.403 flat angles P-C4'-P energy: -33.580 tors. eta vs tors. theta energy: -35.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -484.714748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.714748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.714748 (E_RNA) where: Base-Base interactions energy: -310.352 where: short stacking energy: -126.720 Base-Backbone interact. energy: 1.955 local terms energy: -176.317554 where: bonds (distance) C4'-P energy: -45.430 bonds (distance) P-C4' energy: -46.425 flat angles C4'-P-C4' energy: -49.464 flat angles P-C4'-P energy: -21.295 tors. eta vs tors. theta energy: -13.704 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: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -460.281900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.281900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.281900 (E_RNA) where: Base-Base interactions energy: -287.590 where: short stacking energy: -125.504 Base-Backbone interact. energy: 1.383 local terms energy: -174.074528 where: bonds (distance) C4'-P energy: -46.611 bonds (distance) P-C4' energy: -51.984 flat angles C4'-P-C4' energy: -43.580 flat angles P-C4'-P energy: -24.804 tors. eta vs tors. theta energy: -7.096 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: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1073.101830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.101830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.101830 (E_RNA) where: Base-Base interactions energy: -756.279 where: short stacking energy: -310.953 Base-Backbone interact. energy: -1.731 local terms energy: -315.092031 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -62.236 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -88.334 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: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1025.678620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.678620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.678620 (E_RNA) where: Base-Base interactions energy: -730.407 where: short stacking energy: -303.522 Base-Backbone interact. energy: -1.980 local terms energy: -293.292280 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -52.431 flat angles C4'-P-C4' energy: -61.917 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -87.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1037.398299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.398299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.398299 (E_RNA) where: Base-Base interactions energy: -748.444 where: short stacking energy: -297.938 Base-Backbone interact. energy: -2.090 local terms energy: -286.864293 where: bonds (distance) C4'-P energy: -51.299 bonds (distance) P-C4' energy: -47.569 flat angles C4'-P-C4' energy: -55.212 flat angles P-C4'-P energy: -47.957 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: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -952.846493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.846493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.846493 (E_RNA) where: Base-Base interactions energy: -666.448 where: short stacking energy: -266.263 Base-Backbone interact. energy: 2.677 local terms energy: -289.075140 where: bonds (distance) C4'-P energy: -45.016 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -76.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -966.240922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.240922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.240922 (E_RNA) where: Base-Base interactions energy: -684.740 where: short stacking energy: -286.898 Base-Backbone interact. energy: -0.688 local terms energy: -280.813215 where: bonds (distance) C4'-P energy: -50.557 bonds (distance) P-C4' energy: -49.052 flat angles C4'-P-C4' energy: -65.549 flat angles P-C4'-P energy: -35.697 tors. eta vs tors. theta energy: -79.958 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: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -843.193647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.193647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.193647 (E_RNA) where: Base-Base interactions energy: -574.935 where: short stacking energy: -237.785 Base-Backbone interact. energy: 2.921 local terms energy: -271.178713 where: bonds (distance) C4'-P energy: -61.684 bonds (distance) P-C4' energy: -44.166 flat angles C4'-P-C4' energy: -63.885 flat angles P-C4'-P energy: -33.148 tors. eta vs tors. theta energy: -68.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -748.066987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.066987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.066987 (E_RNA) where: Base-Base interactions energy: -505.555 where: short stacking energy: -233.246 Base-Backbone interact. energy: 0.456 local terms energy: -242.968358 where: bonds (distance) C4'-P energy: -53.583 bonds (distance) P-C4' energy: -38.809 flat angles C4'-P-C4' energy: -54.247 flat angles P-C4'-P energy: -38.837 tors. eta vs tors. theta energy: -57.493 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: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -599.576741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.576741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.576741 (E_RNA) where: Base-Base interactions energy: -409.612 where: short stacking energy: -187.235 Base-Backbone interact. energy: 0.335 local terms energy: -190.300261 where: bonds (distance) C4'-P energy: -39.921 bonds (distance) P-C4' energy: -40.170 flat angles C4'-P-C4' energy: -57.264 flat angles P-C4'-P energy: -20.862 tors. eta vs tors. theta energy: -32.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -449.750069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.750069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.750069 (E_RNA) where: Base-Base interactions energy: -259.859 where: short stacking energy: -136.021 Base-Backbone interact. energy: -0.140 local terms energy: -189.750505 where: bonds (distance) C4'-P energy: -40.282 bonds (distance) P-C4' energy: -56.965 flat angles C4'-P-C4' energy: -46.281 flat angles P-C4'-P energy: -29.139 tors. eta vs tors. theta energy: -17.084 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: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -486.008017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.008017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.008017 (E_RNA) where: Base-Base interactions energy: -319.933 where: short stacking energy: -131.372 Base-Backbone interact. energy: 2.860 local terms energy: -168.934680 where: bonds (distance) C4'-P energy: -40.665 bonds (distance) P-C4' energy: -46.942 flat angles C4'-P-C4' energy: -34.483 flat angles P-C4'-P energy: -26.483 tors. eta vs tors. theta energy: -20.361 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: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1060.462689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.462689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.462689 (E_RNA) where: Base-Base interactions energy: -757.570 where: short stacking energy: -307.966 Base-Backbone interact. energy: -2.115 local terms energy: -300.778323 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -48.371 flat angles C4'-P-C4' energy: -63.728 flat angles P-C4'-P energy: -44.670 tors. eta vs tors. theta energy: -88.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1009.924990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.924990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.924990 (E_RNA) where: Base-Base interactions energy: -713.480 where: short stacking energy: -288.994 Base-Backbone interact. energy: -1.130 local terms energy: -295.314983 where: bonds (distance) C4'-P energy: -51.949 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -57.443 flat angles P-C4'-P energy: -46.568 tors. eta vs tors. theta energy: -79.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1022.549362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.549362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.549362 (E_RNA) where: Base-Base interactions energy: -721.381 where: short stacking energy: -287.919 Base-Backbone interact. energy: 2.096 local terms energy: -303.264711 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -61.522 flat angles P-C4'-P energy: -36.331 tors. eta vs tors. theta energy: -82.494 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: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -950.137286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.137286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.137286 (E_RNA) where: Base-Base interactions energy: -671.184 where: short stacking energy: -280.281 Base-Backbone interact. energy: -1.416 local terms energy: -277.537183 where: bonds (distance) C4'-P energy: -45.771 bonds (distance) P-C4' energy: -45.314 flat angles C4'-P-C4' energy: -63.403 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -79.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -959.555141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.555141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.555141 (E_RNA) where: Base-Base interactions energy: -679.631 where: short stacking energy: -286.122 Base-Backbone interact. energy: -0.933 local terms energy: -278.991022 where: bonds (distance) C4'-P energy: -48.454 bonds (distance) P-C4' energy: -46.527 flat angles C4'-P-C4' energy: -56.972 flat angles P-C4'-P energy: -40.322 tors. eta vs tors. theta energy: -86.717 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: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -803.495506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.495506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.495506 (E_RNA) where: Base-Base interactions energy: -540.301 where: short stacking energy: -240.932 Base-Backbone interact. energy: -1.464 local terms energy: -261.730500 where: bonds (distance) C4'-P energy: -52.847 bonds (distance) P-C4' energy: -52.708 flat angles C4'-P-C4' energy: -59.582 flat angles P-C4'-P energy: -34.665 tors. eta vs tors. theta energy: -61.929 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: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -834.765700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.765700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.765700 (E_RNA) where: Base-Base interactions energy: -582.138 where: short stacking energy: -226.085 Base-Backbone interact. energy: -1.153 local terms energy: -251.474849 where: bonds (distance) C4'-P energy: -48.567 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -55.681 flat angles P-C4'-P energy: -28.989 tors. eta vs tors. theta energy: -59.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -589.626487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.626487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.626487 (E_RNA) where: Base-Base interactions energy: -389.008 where: short stacking energy: -175.713 Base-Backbone interact. energy: 2.510 local terms energy: -203.128990 where: bonds (distance) C4'-P energy: -49.422 bonds (distance) P-C4' energy: -46.625 flat angles C4'-P-C4' energy: -41.604 flat angles P-C4'-P energy: -40.278 tors. eta vs tors. theta energy: -25.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -457.232103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.232103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.232103 (E_RNA) where: Base-Base interactions energy: -260.542 where: short stacking energy: -127.583 Base-Backbone interact. energy: 1.714 local terms energy: -198.404233 where: bonds (distance) C4'-P energy: -60.018 bonds (distance) P-C4' energy: -48.191 flat angles C4'-P-C4' energy: -45.819 flat angles P-C4'-P energy: -28.923 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: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -493.651979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.651979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.651979 (E_RNA) where: Base-Base interactions energy: -320.231 where: short stacking energy: -158.251 Base-Backbone interact. energy: 0.055 local terms energy: -173.476057 where: bonds (distance) C4'-P energy: -42.657 bonds (distance) P-C4' energy: -50.741 flat angles C4'-P-C4' energy: -48.010 flat angles P-C4'-P energy: -17.621 tors. eta vs tors. theta energy: -14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1063.521129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.521129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.521129 (E_RNA) where: Base-Base interactions energy: -757.887 where: short stacking energy: -300.374 Base-Backbone interact. energy: -1.106 local terms energy: -304.527602 where: bonds (distance) C4'-P energy: -49.752 bonds (distance) P-C4' energy: -54.680 flat angles C4'-P-C4' energy: -70.439 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -86.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1012.984779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.984779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.984779 (E_RNA) where: Base-Base interactions energy: -707.720 where: short stacking energy: -303.328 Base-Backbone interact. energy: -0.765 local terms energy: -304.499951 where: bonds (distance) C4'-P energy: -50.179 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -49.581 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: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1030.023239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.023239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.023239 (E_RNA) where: Base-Base interactions energy: -727.520 where: short stacking energy: -289.858 Base-Backbone interact. energy: -3.521 local terms energy: -298.982232 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -53.977 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -79.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -949.317637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.317637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.317637 (E_RNA) where: Base-Base interactions energy: -651.204 where: short stacking energy: -283.121 Base-Backbone interact. energy: -2.043 local terms energy: -296.070314 where: bonds (distance) C4'-P energy: -49.975 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -44.615 tors. eta vs tors. theta energy: -76.583 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: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -942.405177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.405177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.405177 (E_RNA) where: Base-Base interactions energy: -666.236 where: short stacking energy: -276.142 Base-Backbone interact. energy: -0.903 local terms energy: -275.266511 where: bonds (distance) C4'-P energy: -50.408 bonds (distance) P-C4' energy: -56.415 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -75.652 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: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -765.384088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.384088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.384088 (E_RNA) where: Base-Base interactions energy: -497.775 where: short stacking energy: -239.745 Base-Backbone interact. energy: -0.524 local terms energy: -267.085324 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -52.370 flat angles C4'-P-C4' energy: -50.048 flat angles P-C4'-P energy: -41.226 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: 7, replica: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -893.131851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.131851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.131851 (E_RNA) where: Base-Base interactions energy: -638.520 where: short stacking energy: -267.693 Base-Backbone interact. energy: -1.778 local terms energy: -252.833532 where: bonds (distance) C4'-P energy: -46.296 bonds (distance) P-C4' energy: -52.707 flat angles C4'-P-C4' energy: -60.223 flat angles P-C4'-P energy: -22.436 tors. eta vs tors. theta energy: -71.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -562.000491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.000491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.000491 (E_RNA) where: Base-Base interactions energy: -376.995 where: short stacking energy: -172.651 Base-Backbone interact. energy: -0.196 local terms energy: -184.810225 where: bonds (distance) C4'-P energy: -39.939 bonds (distance) P-C4' energy: -38.941 flat angles C4'-P-C4' energy: -48.412 flat angles P-C4'-P energy: -32.847 tors. eta vs tors. theta energy: -24.672 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: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -503.986288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.986288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.986288 (E_RNA) where: Base-Base interactions energy: -312.947 where: short stacking energy: -139.126 Base-Backbone interact. energy: -2.257 local terms energy: -188.782172 where: bonds (distance) C4'-P energy: -49.005 bonds (distance) P-C4' energy: -51.089 flat angles C4'-P-C4' energy: -42.481 flat angles P-C4'-P energy: -27.583 tors. eta vs tors. theta energy: -18.623 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -427.271276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.271276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.271276 (E_RNA) where: Base-Base interactions energy: -254.019 where: short stacking energy: -134.403 Base-Backbone interact. energy: 2.705 local terms energy: -175.957014 where: bonds (distance) C4'-P energy: -47.122 bonds (distance) P-C4' energy: -48.649 flat angles C4'-P-C4' energy: -45.006 flat angles P-C4'-P energy: -27.814 tors. eta vs tors. theta energy: -7.366 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: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1050.726999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.726999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.726999 (E_RNA) where: Base-Base interactions energy: -742.786 where: short stacking energy: -300.061 Base-Backbone interact. energy: -1.866 local terms energy: -306.075441 where: bonds (distance) C4'-P energy: -57.013 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -45.334 tors. eta vs tors. theta energy: -81.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1031.566544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.566544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.566544 (E_RNA) where: Base-Base interactions energy: -730.981 where: short stacking energy: -301.766 Base-Backbone interact. energy: -0.348 local terms energy: -300.238418 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -66.547 flat angles P-C4'-P energy: -41.799 tors. eta vs tors. theta energy: -85.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -979.089012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.089012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.089012 (E_RNA) where: Base-Base interactions energy: -695.286 where: short stacking energy: -294.625 Base-Backbone interact. energy: -0.551 local terms energy: -283.252064 where: bonds (distance) C4'-P energy: -58.994 bonds (distance) P-C4' energy: -46.376 flat angles C4'-P-C4' energy: -57.115 flat angles P-C4'-P energy: -41.072 tors. eta vs tors. theta energy: -79.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -957.345559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.345559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.345559 (E_RNA) where: Base-Base interactions energy: -666.136 where: short stacking energy: -287.758 Base-Backbone interact. energy: 0.064 local terms energy: -291.272837 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -51.470 flat angles C4'-P-C4' energy: -58.432 flat angles P-C4'-P energy: -44.144 tors. eta vs tors. theta energy: -80.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -931.416909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.416909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.416909 (E_RNA) where: Base-Base interactions energy: -655.496 where: short stacking energy: -273.831 Base-Backbone interact. energy: -0.321 local terms energy: -275.600138 where: bonds (distance) C4'-P energy: -49.518 bonds (distance) P-C4' energy: -50.895 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -29.460 tors. eta vs tors. theta energy: -81.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -861.060473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.060473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.060473 (E_RNA) where: Base-Base interactions energy: -597.408 where: short stacking energy: -252.632 Base-Backbone interact. energy: 2.890 local terms energy: -266.542617 where: bonds (distance) C4'-P energy: -44.251 bonds (distance) P-C4' energy: -52.397 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -71.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -754.169080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.169080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.169080 (E_RNA) where: Base-Base interactions energy: -491.392 where: short stacking energy: -229.442 Base-Backbone interact. energy: -2.180 local terms energy: -260.596792 where: bonds (distance) C4'-P energy: -54.428 bonds (distance) P-C4' energy: -53.986 flat angles C4'-P-C4' energy: -57.687 flat angles P-C4'-P energy: -34.117 tors. eta vs tors. theta energy: -60.378 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: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -554.013225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.013225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.013225 (E_RNA) where: Base-Base interactions energy: -348.175 where: short stacking energy: -155.298 Base-Backbone interact. energy: -1.189 local terms energy: -204.648658 where: bonds (distance) C4'-P energy: -45.422 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -50.243 flat angles P-C4'-P energy: -26.071 tors. eta vs tors. theta energy: -28.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -541.611473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.611473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.611473 (E_RNA) where: Base-Base interactions energy: -350.382 where: short stacking energy: -166.307 Base-Backbone interact. energy: -0.687 local terms energy: -190.542789 where: bonds (distance) C4'-P energy: -45.066 bonds (distance) P-C4' energy: -56.398 flat angles C4'-P-C4' energy: -44.995 flat angles P-C4'-P energy: -31.132 tors. eta vs tors. theta energy: -12.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -427.878633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.878633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.878633 (E_RNA) where: Base-Base interactions energy: -260.753 where: short stacking energy: -119.981 Base-Backbone interact. energy: -0.174 local terms energy: -166.950760 where: bonds (distance) C4'-P energy: -49.314 bonds (distance) P-C4' energy: -53.831 flat angles C4'-P-C4' energy: -33.199 flat angles P-C4'-P energy: -28.319 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1055.250952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.250952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.250952 (E_RNA) where: Base-Base interactions energy: -742.597 where: short stacking energy: -303.014 Base-Backbone interact. energy: -0.399 local terms energy: -312.254628 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: -83.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1047.804568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.804568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.804568 (E_RNA) where: Base-Base interactions energy: -737.180 where: short stacking energy: -296.803 Base-Backbone interact. energy: -2.522 local terms energy: -308.103051 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -40.513 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: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -974.861649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.861649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.861649 (E_RNA) where: Base-Base interactions energy: -675.701 where: short stacking energy: -287.191 Base-Backbone interact. energy: -1.978 local terms energy: -297.182789 where: bonds (distance) C4'-P energy: -63.863 bonds (distance) P-C4' energy: -57.712 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -32.296 tors. eta vs tors. theta energy: -80.688 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: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -974.002382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.002382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.002382 (E_RNA) where: Base-Base interactions energy: -678.364 where: short stacking energy: -297.324 Base-Backbone interact. energy: -0.003 local terms energy: -295.635657 where: bonds (distance) C4'-P energy: -50.426 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -56.734 flat angles P-C4'-P energy: -42.075 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: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -933.998944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.998944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.998944 (E_RNA) where: Base-Base interactions energy: -646.194 where: short stacking energy: -276.501 Base-Backbone interact. energy: -1.731 local terms energy: -286.074086 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -45.025 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: -78.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -891.777911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.777911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.777911 (E_RNA) where: Base-Base interactions energy: -634.057 where: short stacking energy: -258.866 Base-Backbone interact. energy: -1.219 local terms energy: -256.501072 where: bonds (distance) C4'-P energy: -31.306 bonds (distance) P-C4' energy: -52.593 flat angles C4'-P-C4' energy: -59.928 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -69.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -733.834683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.834683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.834683 (E_RNA) where: Base-Base interactions energy: -489.323 where: short stacking energy: -212.959 Base-Backbone interact. energy: -1.907 local terms energy: -242.604075 where: bonds (distance) C4'-P energy: -53.326 bonds (distance) P-C4' energy: -54.187 flat angles C4'-P-C4' energy: -57.366 flat angles P-C4'-P energy: -30.051 tors. eta vs tors. theta energy: -47.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -567.950837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.950837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.950837 (E_RNA) where: Base-Base interactions energy: -367.463 where: short stacking energy: -174.902 Base-Backbone interact. energy: -0.832 local terms energy: -199.655857 where: bonds (distance) C4'-P energy: -33.122 bonds (distance) P-C4' energy: -43.792 flat angles C4'-P-C4' energy: -47.191 flat angles P-C4'-P energy: -31.095 tors. eta vs tors. theta energy: -44.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -554.985968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.985968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.985968 (E_RNA) where: Base-Base interactions energy: -349.726 where: short stacking energy: -167.365 Base-Backbone interact. energy: 2.688 local terms energy: -207.948212 where: bonds (distance) C4'-P energy: -40.131 bonds (distance) P-C4' energy: -53.441 flat angles C4'-P-C4' energy: -51.378 flat angles P-C4'-P energy: -23.071 tors. eta vs tors. theta energy: -39.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -439.532292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.532292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.532292 (E_RNA) where: Base-Base interactions energy: -262.662 where: short stacking energy: -119.834 Base-Backbone interact. energy: 5.186 local terms energy: -182.056377 where: bonds (distance) C4'-P energy: -50.483 bonds (distance) P-C4' energy: -41.121 flat angles C4'-P-C4' energy: -45.400 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -19.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1055.690805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.690805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.690805 (E_RNA) where: Base-Base interactions energy: -734.284 where: short stacking energy: -304.727 Base-Backbone interact. energy: -1.777 local terms energy: -319.629227 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -60.434 flat angles C4'-P-C4' energy: -68.237 flat angles P-C4'-P energy: -51.892 tors. eta vs tors. theta energy: -84.486 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: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1061.195122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.195122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.195122 (E_RNA) where: Base-Base interactions energy: -753.364 where: short stacking energy: -299.314 Base-Backbone interact. energy: 1.593 local terms energy: -309.423909 where: bonds (distance) C4'-P energy: -51.051 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -69.710 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: -85.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -979.812818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.812818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.812818 (E_RNA) where: Base-Base interactions energy: -687.923 where: short stacking energy: -307.937 Base-Backbone interact. energy: -0.317 local terms energy: -291.573065 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -47.877 flat angles C4'-P-C4' energy: -64.583 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -80.857 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: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -973.731931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.731931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.731931 (E_RNA) where: Base-Base interactions energy: -686.210 where: short stacking energy: -291.173 Base-Backbone interact. energy: 5.184 local terms energy: -292.706031 where: bonds (distance) C4'-P energy: -52.320 bonds (distance) P-C4' energy: -56.425 flat angles C4'-P-C4' energy: -61.733 flat angles P-C4'-P energy: -38.869 tors. eta vs tors. theta energy: -83.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -941.894916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.894916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.894916 (E_RNA) where: Base-Base interactions energy: -651.833 where: short stacking energy: -274.732 Base-Backbone interact. energy: -0.602 local terms energy: -289.459477 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -52.832 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -40.650 tors. eta vs tors. theta energy: -80.379 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: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -891.525240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.525240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.525240 (E_RNA) where: Base-Base interactions energy: -612.261 where: short stacking energy: -267.551 Base-Backbone interact. energy: -2.491 local terms energy: -276.773046 where: bonds (distance) C4'-P energy: -53.007 bonds (distance) P-C4' energy: -46.014 flat angles C4'-P-C4' energy: -60.751 flat angles P-C4'-P energy: -40.220 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: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -731.109189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.109189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.109189 (E_RNA) where: Base-Base interactions energy: -469.051 where: short stacking energy: -211.365 Base-Backbone interact. energy: -0.581 local terms energy: -261.477517 where: bonds (distance) C4'-P energy: -61.782 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -59.966 flat angles P-C4'-P energy: -30.724 tors. eta vs tors. theta energy: -48.902 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: 433 Temperature: 1.250000 Total energy: -581.046406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.046406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.046406 (E_RNA) where: Base-Base interactions energy: -367.071 where: short stacking energy: -175.553 Base-Backbone interact. energy: -1.246 local terms energy: -212.728991 where: bonds (distance) C4'-P energy: -48.516 bonds (distance) P-C4' energy: -40.122 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -25.800 tors. eta vs tors. theta energy: -40.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -566.976759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.976759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.976759 (E_RNA) where: Base-Base interactions energy: -354.906 where: short stacking energy: -158.094 Base-Backbone interact. energy: -1.331 local terms energy: -210.739388 where: bonds (distance) C4'-P energy: -57.182 bonds (distance) P-C4' energy: -55.749 flat angles C4'-P-C4' energy: -44.766 flat angles P-C4'-P energy: -24.137 tors. eta vs tors. theta energy: -28.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -477.337476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.337476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.337476 (E_RNA) where: Base-Base interactions energy: -289.101 where: short stacking energy: -144.210 Base-Backbone interact. energy: -1.135 local terms energy: -187.102333 where: bonds (distance) C4'-P energy: -49.891 bonds (distance) P-C4' energy: -38.503 flat angles C4'-P-C4' energy: -51.390 flat angles P-C4'-P energy: -28.935 tors. eta vs tors. theta energy: -18.383 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: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1054.904158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.904158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.904158 (E_RNA) where: Base-Base interactions energy: -745.988 where: short stacking energy: -301.779 Base-Backbone interact. energy: 0.268 local terms energy: -309.184632 where: bonds (distance) C4'-P energy: -51.962 bonds (distance) P-C4' energy: -57.399 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1063.296338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.296338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.296338 (E_RNA) where: Base-Base interactions energy: -748.583 where: short stacking energy: -303.666 Base-Backbone interact. energy: -0.116 local terms energy: -314.597229 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -62.731 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -86.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -994.366531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.366531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.366531 (E_RNA) where: Base-Base interactions energy: -695.498 where: short stacking energy: -283.827 Base-Backbone interact. energy: -1.247 local terms energy: -297.621465 where: bonds (distance) C4'-P energy: -48.317 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -62.923 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -82.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -960.058313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.058313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.058313 (E_RNA) where: Base-Base interactions energy: -675.998 where: short stacking energy: -290.226 Base-Backbone interact. energy: 0.201 local terms energy: -284.261101 where: bonds (distance) C4'-P energy: -44.674 bonds (distance) P-C4' energy: -55.376 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -78.709 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: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -952.683327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.683327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.683327 (E_RNA) where: Base-Base interactions energy: -678.953 where: short stacking energy: -276.474 Base-Backbone interact. energy: 0.590 local terms energy: -274.319634 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -51.693 flat angles C4'-P-C4' energy: -57.683 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -77.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -847.835418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.835418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.835418 (E_RNA) where: Base-Base interactions energy: -593.417 where: short stacking energy: -252.259 Base-Backbone interact. energy: 0.353 local terms energy: -254.771227 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -42.009 flat angles C4'-P-C4' energy: -52.401 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -70.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -762.283585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.283585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.283585 (E_RNA) where: Base-Base interactions energy: -519.414 where: short stacking energy: -245.084 Base-Backbone interact. energy: 1.273 local terms energy: -244.143149 where: bonds (distance) C4'-P energy: -49.541 bonds (distance) P-C4' energy: -50.530 flat angles C4'-P-C4' energy: -51.875 flat angles P-C4'-P energy: -30.505 tors. eta vs tors. theta energy: -61.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -634.417711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.417711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.417711 (E_RNA) where: Base-Base interactions energy: -413.264 where: short stacking energy: -186.747 Base-Backbone interact. energy: 0.290 local terms energy: -221.443900 where: bonds (distance) C4'-P energy: -43.933 bonds (distance) P-C4' energy: -49.532 flat angles C4'-P-C4' energy: -49.523 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -38.304 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -576.389695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.389695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.389695 (E_RNA) where: Base-Base interactions energy: -371.276 where: short stacking energy: -174.818 Base-Backbone interact. energy: 0.656 local terms energy: -205.769809 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -42.636 flat angles C4'-P-C4' energy: -39.653 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -36.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -503.521433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.521433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.521433 (E_RNA) where: Base-Base interactions energy: -318.677 where: short stacking energy: -170.491 Base-Backbone interact. energy: 2.995 local terms energy: -187.838628 where: bonds (distance) C4'-P energy: -38.229 bonds (distance) P-C4' energy: -45.752 flat angles C4'-P-C4' energy: -48.532 flat angles P-C4'-P energy: -28.188 tors. eta vs tors. theta energy: -27.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1054.488904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.488904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.488904 (E_RNA) where: Base-Base interactions energy: -736.417 where: short stacking energy: -291.850 Base-Backbone interact. energy: -0.362 local terms energy: -317.709790 where: bonds (distance) C4'-P energy: -57.623 bonds (distance) P-C4' energy: -62.607 flat angles C4'-P-C4' energy: -65.620 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -84.442 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: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1005.286447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.286447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.286447 (E_RNA) where: Base-Base interactions energy: -700.354 where: short stacking energy: -310.843 Base-Backbone interact. energy: -1.757 local terms energy: -303.175288 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -66.646 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -80.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1040.690284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.690284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.690284 (E_RNA) where: Base-Base interactions energy: -733.560 where: short stacking energy: -302.140 Base-Backbone interact. energy: -0.517 local terms energy: -306.612827 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -53.432 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -42.595 tors. eta vs tors. theta energy: -85.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -970.176640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.176640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.176640 (E_RNA) where: Base-Base interactions energy: -696.470 where: short stacking energy: -276.264 Base-Backbone interact. energy: -0.237 local terms energy: -273.469526 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -48.086 flat angles C4'-P-C4' energy: -56.107 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -75.765 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: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -946.228496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.228496 (E_RNA) where: Base-Base interactions energy: -662.746 where: short stacking energy: -282.319 Base-Backbone interact. energy: -1.129 local terms energy: -282.354117 where: bonds (distance) C4'-P energy: -56.013 bonds (distance) P-C4' energy: -50.374 flat angles C4'-P-C4' energy: -58.748 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -75.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -881.183073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.183073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.183073 (E_RNA) where: Base-Base interactions energy: -636.207 where: short stacking energy: -259.143 Base-Backbone interact. energy: -0.566 local terms energy: -244.409572 where: bonds (distance) C4'-P energy: -43.403 bonds (distance) P-C4' energy: -46.673 flat angles C4'-P-C4' energy: -58.354 flat angles P-C4'-P energy: -32.506 tors. eta vs tors. theta energy: -63.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -736.764401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.764401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.764401 (E_RNA) where: Base-Base interactions energy: -500.191 where: short stacking energy: -217.176 Base-Backbone interact. energy: -0.597 local terms energy: -235.977083 where: bonds (distance) C4'-P energy: -49.817 bonds (distance) P-C4' energy: -48.711 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -23.365 tors. eta vs tors. theta energy: -56.957 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: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -587.539780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.539780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.539780 (E_RNA) where: Base-Base interactions energy: -377.395 where: short stacking energy: -173.343 Base-Backbone interact. energy: 0.087 local terms energy: -210.232534 where: bonds (distance) C4'-P energy: -51.612 bonds (distance) P-C4' energy: -40.016 flat angles C4'-P-C4' energy: -57.815 flat angles P-C4'-P energy: -36.389 tors. eta vs tors. theta energy: -24.401 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: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -586.879795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.879795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.879795 (E_RNA) where: Base-Base interactions energy: -381.943 where: short stacking energy: -167.991 Base-Backbone interact. energy: -0.672 local terms energy: -204.265538 where: bonds (distance) C4'-P energy: -47.496 bonds (distance) P-C4' energy: -36.772 flat angles C4'-P-C4' energy: -53.187 flat angles P-C4'-P energy: -31.932 tors. eta vs tors. theta energy: -34.877 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: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -468.932633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.932633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.932633 (E_RNA) where: Base-Base interactions energy: -278.712 where: short stacking energy: -117.931 Base-Backbone interact. energy: -0.752 local terms energy: -189.468548 where: bonds (distance) C4'-P energy: -49.276 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -48.100 flat angles P-C4'-P energy: -25.715 tors. eta vs tors. theta energy: -6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1052.416649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.416649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.416649 (E_RNA) where: Base-Base interactions energy: -735.240 where: short stacking energy: -296.286 Base-Backbone interact. energy: 0.350 local terms energy: -317.526715 where: bonds (distance) C4'-P energy: -61.719 bonds (distance) P-C4' energy: -68.853 flat angles C4'-P-C4' energy: -55.307 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -84.166 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: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1017.175949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.175949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.175949 (E_RNA) where: Base-Base interactions energy: -700.914 where: short stacking energy: -294.485 Base-Backbone interact. energy: -1.292 local terms energy: -314.969918 where: bonds (distance) C4'-P energy: -59.287 bonds (distance) P-C4' energy: -60.640 flat angles C4'-P-C4' energy: -65.962 flat angles P-C4'-P energy: -40.906 tors. eta vs tors. theta energy: -88.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1010.880247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.880247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.880247 (E_RNA) where: Base-Base interactions energy: -722.341 where: short stacking energy: -291.963 Base-Backbone interact. energy: -0.254 local terms energy: -288.285478 where: bonds (distance) C4'-P energy: -54.812 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -40.093 tors. eta vs tors. theta energy: -76.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1019.287244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.287244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.287244 (E_RNA) where: Base-Base interactions energy: -723.497 where: short stacking energy: -299.534 Base-Backbone interact. energy: -2.396 local terms energy: -293.394231 where: bonds (distance) C4'-P energy: -51.403 bonds (distance) P-C4' energy: -52.183 flat angles C4'-P-C4' energy: -66.090 flat angles P-C4'-P energy: -37.666 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: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -959.508575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.508575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.508575 (E_RNA) where: Base-Base interactions energy: -666.248 where: short stacking energy: -278.908 Base-Backbone interact. energy: -1.122 local terms energy: -292.138882 where: bonds (distance) C4'-P energy: -48.138 bonds (distance) P-C4' energy: -62.154 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -76.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -825.024670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.024670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.024670 (E_RNA) where: Base-Base interactions energy: -570.949 where: short stacking energy: -250.062 Base-Backbone interact. energy: 0.699 local terms energy: -254.775274 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -43.686 flat angles C4'-P-C4' energy: -50.473 flat angles P-C4'-P energy: -31.009 tors. eta vs tors. theta energy: -72.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -741.575571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.575571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.575571 (E_RNA) where: Base-Base interactions energy: -497.995 where: short stacking energy: -228.319 Base-Backbone interact. energy: -0.408 local terms energy: -243.173185 where: bonds (distance) C4'-P energy: -50.508 bonds (distance) P-C4' energy: -53.882 flat angles C4'-P-C4' energy: -45.902 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -52.531 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: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -583.276381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.276381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.276381 (E_RNA) where: Base-Base interactions energy: -364.860 where: short stacking energy: -163.868 Base-Backbone interact. energy: -1.448 local terms energy: -216.968488 where: bonds (distance) C4'-P energy: -39.598 bonds (distance) P-C4' energy: -40.326 flat angles C4'-P-C4' energy: -50.569 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -45.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -548.556460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.556460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.556460 (E_RNA) where: Base-Base interactions energy: -355.646 where: short stacking energy: -156.754 Base-Backbone interact. energy: 1.193 local terms energy: -194.103499 where: bonds (distance) C4'-P energy: -53.236 bonds (distance) P-C4' energy: -51.011 flat angles C4'-P-C4' energy: -37.226 flat angles P-C4'-P energy: -33.913 tors. eta vs tors. theta energy: -18.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -456.546500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.546500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.546500 (E_RNA) where: Base-Base interactions energy: -282.842 where: short stacking energy: -145.190 Base-Backbone interact. energy: -0.792 local terms energy: -172.911813 where: bonds (distance) C4'-P energy: -53.405 bonds (distance) P-C4' energy: -39.999 flat angles C4'-P-C4' energy: -39.468 flat angles P-C4'-P energy: -25.107 tors. eta vs tors. theta energy: -14.932 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1069.102958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.102958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.102958 (E_RNA) where: Base-Base interactions energy: -748.076 where: short stacking energy: -307.560 Base-Backbone interact. energy: -1.406 local terms energy: -319.621220 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -61.800 flat angles C4'-P-C4' energy: -70.103 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -85.951 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1008.785314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.785314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.785314 (E_RNA) where: Base-Base interactions energy: -697.471 where: short stacking energy: -302.704 Base-Backbone interact. energy: -1.425 local terms energy: -309.889145 where: bonds (distance) C4'-P energy: -52.209 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -67.920 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -87.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1006.672254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.672254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.672254 (E_RNA) where: Base-Base interactions energy: -705.012 where: short stacking energy: -277.424 Base-Backbone interact. energy: -2.435 local terms energy: -299.225336 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -64.985 flat angles C4'-P-C4' energy: -59.401 flat angles P-C4'-P energy: -43.286 tors. eta vs tors. theta energy: -84.008 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: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1004.340306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.340306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.340306 (E_RNA) where: Base-Base interactions energy: -700.138 where: short stacking energy: -278.397 Base-Backbone interact. energy: -1.969 local terms energy: -302.233130 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -60.722 flat angles C4'-P-C4' energy: -60.562 flat angles P-C4'-P energy: -38.708 tors. eta vs tors. theta energy: -85.820 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: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -923.638464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.638464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.638464 (E_RNA) where: Base-Base interactions energy: -649.647 where: short stacking energy: -267.552 Base-Backbone interact. energy: -1.408 local terms energy: -272.584300 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -57.023 flat angles C4'-P-C4' energy: -45.840 flat angles P-C4'-P energy: -34.774 tors. eta vs tors. theta energy: -76.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -867.436722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.436722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.436722 (E_RNA) where: Base-Base interactions energy: -623.039 where: short stacking energy: -266.342 Base-Backbone interact. energy: 2.633 local terms energy: -247.030371 where: bonds (distance) C4'-P energy: -43.856 bonds (distance) P-C4' energy: -42.634 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -25.754 tors. eta vs tors. theta energy: -70.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -730.702070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.702070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.702070 (E_RNA) where: Base-Base interactions energy: -482.263 where: short stacking energy: -222.627 Base-Backbone interact. energy: 0.521 local terms energy: -248.959458 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -47.375 flat angles C4'-P-C4' energy: -50.773 flat angles P-C4'-P energy: -39.602 tors. eta vs tors. theta energy: -58.446 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: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -591.201445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.201445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.201445 (E_RNA) where: Base-Base interactions energy: -363.299 where: short stacking energy: -168.884 Base-Backbone interact. energy: -1.182 local terms energy: -226.720551 where: bonds (distance) C4'-P energy: -43.141 bonds (distance) P-C4' energy: -45.213 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -39.033 tors. eta vs tors. theta energy: -34.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -566.234725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.234725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.234725 (E_RNA) where: Base-Base interactions energy: -360.537 where: short stacking energy: -158.569 Base-Backbone interact. energy: -1.672 local terms energy: -204.025928 where: bonds (distance) C4'-P energy: -53.799 bonds (distance) P-C4' energy: -49.094 flat angles C4'-P-C4' energy: -44.793 flat angles P-C4'-P energy: -31.689 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: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -488.930932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.930932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.930932 (E_RNA) where: Base-Base interactions energy: -291.681 where: short stacking energy: -140.025 Base-Backbone interact. energy: 4.337 local terms energy: -201.586587 where: bonds (distance) C4'-P energy: -45.192 bonds (distance) P-C4' energy: -46.427 flat angles C4'-P-C4' energy: -45.117 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: -26.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1046.217486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.217486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.217486 (E_RNA) where: Base-Base interactions energy: -762.768 where: short stacking energy: -293.117 Base-Backbone interact. energy: -0.454 local terms energy: -282.995577 where: bonds (distance) C4'-P energy: -56.878 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -58.984 flat angles P-C4'-P energy: -31.192 tors. eta vs tors. theta energy: -80.792 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: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1025.377840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.377840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.377840 (E_RNA) where: Base-Base interactions energy: -721.500 where: short stacking energy: -314.317 Base-Backbone interact. energy: -0.800 local terms energy: -303.077787 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -50.531 flat angles C4'-P-C4' energy: -61.779 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -91.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1003.391827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.391827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.391827 (E_RNA) where: Base-Base interactions energy: -719.365 where: short stacking energy: -283.783 Base-Backbone interact. energy: -1.472 local terms energy: -282.554668 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -49.519 flat angles C4'-P-C4' energy: -58.721 flat angles P-C4'-P energy: -40.180 tors. eta vs tors. theta energy: -82.324 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: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -996.161555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.161555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.161555 (E_RNA) where: Base-Base interactions energy: -716.717 where: short stacking energy: -290.361 Base-Backbone interact. energy: -1.120 local terms energy: -278.325183 where: bonds (distance) C4'-P energy: -45.222 bonds (distance) P-C4' energy: -55.827 flat angles C4'-P-C4' energy: -61.478 flat angles P-C4'-P energy: -33.585 tors. eta vs tors. theta energy: -82.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -945.303673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.303673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.303673 (E_RNA) where: Base-Base interactions energy: -660.231 where: short stacking energy: -293.132 Base-Backbone interact. energy: -1.007 local terms energy: -284.066019 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -44.819 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -77.712 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: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -864.945310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.945310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.945310 (E_RNA) where: Base-Base interactions energy: -604.830 where: short stacking energy: -257.878 Base-Backbone interact. energy: -0.762 local terms energy: -259.353382 where: bonds (distance) C4'-P energy: -46.804 bonds (distance) P-C4' energy: -51.623 flat angles C4'-P-C4' energy: -52.704 flat angles P-C4'-P energy: -32.656 tors. eta vs tors. theta energy: -75.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -745.954110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.954110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.954110 (E_RNA) where: Base-Base interactions energy: -496.342 where: short stacking energy: -215.652 Base-Backbone interact. energy: 1.538 local terms energy: -251.149905 where: bonds (distance) C4'-P energy: -48.664 bonds (distance) P-C4' energy: -47.572 flat angles C4'-P-C4' energy: -59.199 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -55.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -589.599495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.599495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.599495 (E_RNA) where: Base-Base interactions energy: -381.866 where: short stacking energy: -168.349 Base-Backbone interact. energy: -2.971 local terms energy: -204.762247 where: bonds (distance) C4'-P energy: -51.829 bonds (distance) P-C4' energy: -51.322 flat angles C4'-P-C4' energy: -50.152 flat angles P-C4'-P energy: -25.082 tors. eta vs tors. theta energy: -26.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -545.334859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.334859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.334859 (E_RNA) where: Base-Base interactions energy: -351.992 where: short stacking energy: -159.261 Base-Backbone interact. energy: 1.144 local terms energy: -194.486011 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -43.605 flat angles C4'-P-C4' energy: -44.731 flat angles P-C4'-P energy: -24.465 tors. eta vs tors. theta energy: -31.931 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: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -474.981120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.981120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.981120 (E_RNA) where: Base-Base interactions energy: -297.431 where: short stacking energy: -136.319 Base-Backbone interact. energy: 2.499 local terms energy: -180.050063 where: bonds (distance) C4'-P energy: -37.655 bonds (distance) P-C4' energy: -50.203 flat angles C4'-P-C4' energy: -52.839 flat angles P-C4'-P energy: -26.059 tors. eta vs tors. theta energy: -13.295 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: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1037.199609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.199609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.199609 (E_RNA) where: Base-Base interactions energy: -728.480 where: short stacking energy: -293.670 Base-Backbone interact. energy: -1.137 local terms energy: -307.582787 where: bonds (distance) C4'-P energy: -64.350 bonds (distance) P-C4' energy: -63.997 flat angles C4'-P-C4' energy: -65.463 flat angles P-C4'-P energy: -35.791 tors. eta vs tors. theta energy: -77.983 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: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1021.920192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.920192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.920192 (E_RNA) where: Base-Base interactions energy: -735.113 where: short stacking energy: -295.250 Base-Backbone interact. energy: -0.587 local terms energy: -286.220622 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -50.110 flat angles C4'-P-C4' energy: -55.605 flat angles P-C4'-P energy: -43.591 tors. eta vs tors. theta energy: -77.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -990.588164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.588164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.588164 (E_RNA) where: Base-Base interactions energy: -695.157 where: short stacking energy: -286.504 Base-Backbone interact. energy: -0.902 local terms energy: -294.528239 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -66.136 flat angles P-C4'-P energy: -37.681 tors. eta vs tors. theta energy: -80.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1013.475691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.475691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.475691 (E_RNA) where: Base-Base interactions energy: -716.091 where: short stacking energy: -286.821 Base-Backbone interact. energy: 0.781 local terms energy: -298.166065 where: bonds (distance) C4'-P energy: -48.589 bonds (distance) P-C4' energy: -55.801 flat angles C4'-P-C4' energy: -65.835 flat angles P-C4'-P energy: -45.083 tors. eta vs tors. theta energy: -82.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -926.501474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.501474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.501474 (E_RNA) where: Base-Base interactions energy: -655.849 where: short stacking energy: -282.678 Base-Backbone interact. energy: -1.678 local terms energy: -268.974908 where: bonds (distance) C4'-P energy: -53.699 bonds (distance) P-C4' energy: -52.780 flat angles C4'-P-C4' energy: -48.545 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: -77.704 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: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -842.370342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.370342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.370342 (E_RNA) where: Base-Base interactions energy: -582.674 where: short stacking energy: -242.875 Base-Backbone interact. energy: -0.756 local terms energy: -258.939706 where: bonds (distance) C4'-P energy: -50.587 bonds (distance) P-C4' energy: -47.322 flat angles C4'-P-C4' energy: -55.676 flat angles P-C4'-P energy: -29.976 tors. eta vs tors. theta energy: -75.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -755.515755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.515755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.515755 (E_RNA) where: Base-Base interactions energy: -525.579 where: short stacking energy: -225.664 Base-Backbone interact. energy: -0.663 local terms energy: -229.274390 where: bonds (distance) C4'-P energy: -40.090 bonds (distance) P-C4' energy: -44.669 flat angles C4'-P-C4' energy: -54.563 flat angles P-C4'-P energy: -32.027 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: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -612.482133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.482133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.482133 (E_RNA) where: Base-Base interactions energy: -399.273 where: short stacking energy: -189.155 Base-Backbone interact. energy: -0.412 local terms energy: -212.796671 where: bonds (distance) C4'-P energy: -46.740 bonds (distance) P-C4' energy: -46.739 flat angles C4'-P-C4' energy: -55.614 flat angles P-C4'-P energy: -25.637 tors. eta vs tors. theta energy: -38.066 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: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -495.278355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.278355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.278355 (E_RNA) where: Base-Base interactions energy: -307.820 where: short stacking energy: -144.817 Base-Backbone interact. energy: -0.371 local terms energy: -187.087927 where: bonds (distance) C4'-P energy: -36.785 bonds (distance) P-C4' energy: -50.456 flat angles C4'-P-C4' energy: -49.488 flat angles P-C4'-P energy: -32.525 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: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -480.228873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.228873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.228873 (E_RNA) where: Base-Base interactions energy: -288.923 where: short stacking energy: -143.713 Base-Backbone interact. energy: -0.852 local terms energy: -190.454485 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -33.479 flat angles C4'-P-C4' energy: -53.741 flat angles P-C4'-P energy: -23.667 tors. eta vs tors. theta energy: -23.035 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: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1046.253908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.253908 (E_RNA) where: Base-Base interactions energy: -758.174 where: short stacking energy: -285.989 Base-Backbone interact. energy: 0.841 local terms energy: -288.921814 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -60.876 flat angles P-C4'-P energy: -34.265 tors. eta vs tors. theta energy: -75.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1020.433702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.433702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.433702 (E_RNA) where: Base-Base interactions energy: -733.213 where: short stacking energy: -291.692 Base-Backbone interact. energy: -2.195 local terms energy: -285.026258 where: bonds (distance) C4'-P energy: -40.862 bonds (distance) P-C4' energy: -54.371 flat angles C4'-P-C4' energy: -68.784 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -78.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1022.150392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.150392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.150392 (E_RNA) where: Base-Base interactions energy: -738.516 where: short stacking energy: -296.226 Base-Backbone interact. energy: -1.540 local terms energy: -282.094925 where: bonds (distance) C4'-P energy: -53.828 bonds (distance) P-C4' energy: -45.910 flat angles C4'-P-C4' energy: -62.317 flat angles P-C4'-P energy: -39.538 tors. eta vs tors. theta energy: -80.503 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: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -967.110908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.110908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.110908 (E_RNA) where: Base-Base interactions energy: -662.166 where: short stacking energy: -290.013 Base-Backbone interact. energy: -0.411 local terms energy: -304.533868 where: bonds (distance) C4'-P energy: -56.485 bonds (distance) P-C4' energy: -64.978 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -81.651 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: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -942.689463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.689463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.689463 (E_RNA) where: Base-Base interactions energy: -662.347 where: short stacking energy: -278.186 Base-Backbone interact. energy: -0.855 local terms energy: -279.487724 where: bonds (distance) C4'-P energy: -40.205 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -34.742 tors. eta vs tors. theta energy: -83.348 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: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -850.412916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.412916 (E_RNA) where: Base-Base interactions energy: -586.316 where: short stacking energy: -257.953 Base-Backbone interact. energy: -1.053 local terms energy: -263.044227 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -49.367 flat angles C4'-P-C4' energy: -52.123 flat angles P-C4'-P energy: -37.068 tors. eta vs tors. theta energy: -66.348 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: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -741.070538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.070538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.070538 (E_RNA) where: Base-Base interactions energy: -503.801 where: short stacking energy: -228.308 Base-Backbone interact. energy: -0.638 local terms energy: -236.631778 where: bonds (distance) C4'-P energy: -44.262 bonds (distance) P-C4' energy: -51.688 flat angles C4'-P-C4' energy: -53.241 flat angles P-C4'-P energy: -30.316 tors. eta vs tors. theta energy: -57.125 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: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -575.872398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.872398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.872398 (E_RNA) where: Base-Base interactions energy: -338.339 where: short stacking energy: -150.166 Base-Backbone interact. energy: -1.883 local terms energy: -235.649905 where: bonds (distance) C4'-P energy: -54.772 bonds (distance) P-C4' energy: -45.401 flat angles C4'-P-C4' energy: -54.461 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -40.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -494.255554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.255554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.255554 (E_RNA) where: Base-Base interactions energy: -309.110 where: short stacking energy: -144.484 Base-Backbone interact. energy: -0.309 local terms energy: -184.836186 where: bonds (distance) C4'-P energy: -50.458 bonds (distance) P-C4' energy: -43.385 flat angles C4'-P-C4' energy: -43.202 flat angles P-C4'-P energy: -21.847 tors. eta vs tors. theta energy: -25.945 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: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -430.748138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.748138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.748138 (E_RNA) where: Base-Base interactions energy: -256.172 where: short stacking energy: -133.055 Base-Backbone interact. energy: -0.150 local terms energy: -174.425417 where: bonds (distance) C4'-P energy: -48.882 bonds (distance) P-C4' energy: -55.130 flat angles C4'-P-C4' energy: -43.199 flat angles P-C4'-P energy: -17.087 tors. eta vs tors. theta energy: -10.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1055.115771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.115771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.115771 (E_RNA) where: Base-Base interactions energy: -747.207 where: short stacking energy: -287.985 Base-Backbone interact. energy: -0.014 local terms energy: -307.894426 where: bonds (distance) C4'-P energy: -61.975 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -62.185 flat angles P-C4'-P energy: -37.558 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: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1023.580360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.580360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.580360 (E_RNA) where: Base-Base interactions energy: -730.768 where: short stacking energy: -296.286 Base-Backbone interact. energy: -1.433 local terms energy: -291.378959 where: bonds (distance) C4'-P energy: -56.263 bonds (distance) P-C4' energy: -49.892 flat angles C4'-P-C4' energy: -60.750 flat angles P-C4'-P energy: -43.205 tors. eta vs tors. theta energy: -81.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1020.716733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.716733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.716733 (E_RNA) where: Base-Base interactions energy: -718.874 where: short stacking energy: -283.299 Base-Backbone interact. energy: -0.875 local terms energy: -300.967921 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -56.905 flat angles C4'-P-C4' energy: -57.952 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -80.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -950.675810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.675810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.675810 (E_RNA) where: Base-Base interactions energy: -665.769 where: short stacking energy: -276.105 Base-Backbone interact. energy: -0.147 local terms energy: -284.759863 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -52.221 flat angles P-C4'-P energy: -40.341 tors. eta vs tors. theta energy: -79.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -930.271200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.271200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.271200 (E_RNA) where: Base-Base interactions energy: -652.009 where: short stacking energy: -287.346 Base-Backbone interact. energy: -0.910 local terms energy: -277.352161 where: bonds (distance) C4'-P energy: -50.120 bonds (distance) P-C4' energy: -48.388 flat angles C4'-P-C4' energy: -58.690 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -84.239 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: 441 Temperature: 1.150000 Total energy: -850.847439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.847439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.847439 (E_RNA) where: Base-Base interactions energy: -590.656 where: short stacking energy: -242.862 Base-Backbone interact. energy: -1.228 local terms energy: -258.963276 where: bonds (distance) C4'-P energy: -47.026 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -59.253 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -63.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -718.491866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.491866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.491866 (E_RNA) where: Base-Base interactions energy: -479.086 where: short stacking energy: -201.372 Base-Backbone interact. energy: 2.125 local terms energy: -241.530952 where: bonds (distance) C4'-P energy: -56.453 bonds (distance) P-C4' energy: -51.546 flat angles C4'-P-C4' energy: -56.348 flat angles P-C4'-P energy: -28.758 tors. eta vs tors. theta energy: -48.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -655.893134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.893134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.893134 (E_RNA) where: Base-Base interactions energy: -435.595 where: short stacking energy: -205.252 Base-Backbone interact. energy: 0.054 local terms energy: -220.352412 where: bonds (distance) C4'-P energy: -33.458 bonds (distance) P-C4' energy: -54.328 flat angles C4'-P-C4' energy: -52.974 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -49.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -492.708483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.708483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.708483 (E_RNA) where: Base-Base interactions energy: -312.393 where: short stacking energy: -151.145 Base-Backbone interact. energy: -2.078 local terms energy: -178.237447 where: bonds (distance) C4'-P energy: -49.340 bonds (distance) P-C4' energy: -45.267 flat angles C4'-P-C4' energy: -34.534 flat angles P-C4'-P energy: -29.490 tors. eta vs tors. theta energy: -19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -447.981082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.981082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.981082 (E_RNA) where: Base-Base interactions energy: -264.081 where: short stacking energy: -126.305 Base-Backbone interact. energy: -0.819 local terms energy: -183.081464 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -41.540 flat angles C4'-P-C4' energy: -47.403 flat angles P-C4'-P energy: -25.052 tors. eta vs tors. theta energy: -15.900 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: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1058.970350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.970350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.970350 (E_RNA) where: Base-Base interactions energy: -748.734 where: short stacking energy: -298.799 Base-Backbone interact. energy: -1.366 local terms energy: -308.871101 where: bonds (distance) C4'-P energy: -54.570 bonds (distance) P-C4' energy: -59.740 flat angles C4'-P-C4' energy: -68.868 flat angles P-C4'-P energy: -42.487 tors. eta vs tors. theta energy: -83.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1037.699342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.699342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.699342 (E_RNA) where: Base-Base interactions energy: -732.448 where: short stacking energy: -287.905 Base-Backbone interact. energy: -0.510 local terms energy: -304.741933 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -60.729 flat angles C4'-P-C4' energy: -63.739 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -78.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1051.001689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.001689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.001689 (E_RNA) where: Base-Base interactions energy: -754.948 where: short stacking energy: -298.620 Base-Backbone interact. energy: -0.563 local terms energy: -295.490555 where: bonds (distance) C4'-P energy: -45.100 bonds (distance) P-C4' energy: -53.056 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -84.210 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: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -959.419603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.419603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.419603 (E_RNA) where: Base-Base interactions energy: -670.723 where: short stacking energy: -287.398 Base-Backbone interact. energy: -0.680 local terms energy: -288.017134 where: bonds (distance) C4'-P energy: -45.589 bonds (distance) P-C4' energy: -63.358 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -78.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -882.855892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.855892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.855892 (E_RNA) where: Base-Base interactions energy: -610.627 where: short stacking energy: -260.330 Base-Backbone interact. energy: -0.990 local terms energy: -271.238874 where: bonds (distance) C4'-P energy: -46.453 bonds (distance) P-C4' energy: -48.403 flat angles C4'-P-C4' energy: -65.061 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -71.619 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: 442 Temperature: 1.150000 Total energy: -840.230079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.230079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.230079 (E_RNA) where: Base-Base interactions energy: -572.969 where: short stacking energy: -238.805 Base-Backbone interact. energy: 0.292 local terms energy: -267.553226 where: bonds (distance) C4'-P energy: -48.886 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -62.642 flat angles P-C4'-P energy: -32.056 tors. eta vs tors. theta energy: -64.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -732.006765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.006765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.006765 (E_RNA) where: Base-Base interactions energy: -484.278 where: short stacking energy: -215.543 Base-Backbone interact. energy: -0.546 local terms energy: -247.183633 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -51.138 flat angles C4'-P-C4' energy: -59.404 flat angles P-C4'-P energy: -28.540 tors. eta vs tors. theta energy: -51.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -634.808509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.808509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.808509 (E_RNA) where: Base-Base interactions energy: -401.664 where: short stacking energy: -185.545 Base-Backbone interact. energy: -0.844 local terms energy: -232.299609 where: bonds (distance) C4'-P energy: -47.403 bonds (distance) P-C4' energy: -54.276 flat angles C4'-P-C4' energy: -53.345 flat angles P-C4'-P energy: -34.685 tors. eta vs tors. theta energy: -42.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -504.472035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.472035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.472035 (E_RNA) where: Base-Base interactions energy: -306.766 where: short stacking energy: -151.250 Base-Backbone interact. energy: 0.293 local terms energy: -197.999310 where: bonds (distance) C4'-P energy: -37.033 bonds (distance) P-C4' energy: -46.592 flat angles C4'-P-C4' energy: -45.858 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -35.251 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: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -435.058566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.058566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.058566 (E_RNA) where: Base-Base interactions energy: -255.341 where: short stacking energy: -116.359 Base-Backbone interact. energy: 1.900 local terms energy: -181.617657 where: bonds (distance) C4'-P energy: -43.701 bonds (distance) P-C4' energy: -49.681 flat angles C4'-P-C4' energy: -43.551 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1060.325517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.325517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.325517 (E_RNA) where: Base-Base interactions energy: -751.839 where: short stacking energy: -290.837 Base-Backbone interact. energy: -0.270 local terms energy: -308.216137 where: bonds (distance) C4'-P energy: -66.203 bonds (distance) P-C4' energy: -48.987 flat angles C4'-P-C4' energy: -68.668 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -78.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1055.140380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.140380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.140380 (E_RNA) where: Base-Base interactions energy: -730.076 where: short stacking energy: -297.709 Base-Backbone interact. energy: 0.260 local terms energy: -325.325125 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -58.902 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -90.950 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: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1010.588727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.588727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.588727 (E_RNA) where: Base-Base interactions energy: -724.679 where: short stacking energy: -264.247 Base-Backbone interact. energy: -0.682 local terms energy: -285.227315 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -51.566 flat angles C4'-P-C4' energy: -57.555 flat angles P-C4'-P energy: -41.993 tors. eta vs tors. theta energy: -73.753 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: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -966.622123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.622123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.622123 (E_RNA) where: Base-Base interactions energy: -688.575 where: short stacking energy: -279.918 Base-Backbone interact. energy: -1.334 local terms energy: -276.713697 where: bonds (distance) C4'-P energy: -49.877 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -56.611 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -72.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -916.083607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.083607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.083607 (E_RNA) where: Base-Base interactions energy: -621.560 where: short stacking energy: -260.757 Base-Backbone interact. energy: -0.166 local terms energy: -294.357596 where: bonds (distance) C4'-P energy: -51.326 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -68.713 flat angles P-C4'-P energy: -33.939 tors. eta vs tors. theta energy: -84.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -825.975037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.975037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.975037 (E_RNA) where: Base-Base interactions energy: -571.097 where: short stacking energy: -224.497 Base-Backbone interact. energy: -1.225 local terms energy: -253.653102 where: bonds (distance) C4'-P energy: -48.839 bonds (distance) P-C4' energy: -59.546 flat angles C4'-P-C4' energy: -54.300 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: -56.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -720.844083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.844083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.844083 (E_RNA) where: Base-Base interactions energy: -477.353 where: short stacking energy: -224.152 Base-Backbone interact. energy: -1.636 local terms energy: -241.854758 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -52.445 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: -46.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -594.532440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.532440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.532440 (E_RNA) where: Base-Base interactions energy: -379.750 where: short stacking energy: -182.465 Base-Backbone interact. energy: -4.963 local terms energy: -209.819252 where: bonds (distance) C4'-P energy: -51.607 bonds (distance) P-C4' energy: -47.766 flat angles C4'-P-C4' energy: -56.746 flat angles P-C4'-P energy: -23.278 tors. eta vs tors. theta energy: -30.423 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: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -476.778411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.778411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.778411 (E_RNA) where: Base-Base interactions energy: -295.894 where: short stacking energy: -149.388 Base-Backbone interact. energy: 0.566 local terms energy: -181.449492 where: bonds (distance) C4'-P energy: -38.866 bonds (distance) P-C4' energy: -54.149 flat angles C4'-P-C4' energy: -38.939 flat angles P-C4'-P energy: -30.269 tors. eta vs tors. theta energy: -19.228 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: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -466.407045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.407045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.407045 (E_RNA) where: Base-Base interactions energy: -297.286 where: short stacking energy: -125.182 Base-Backbone interact. energy: -1.127 local terms energy: -167.993920 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -53.745 flat angles C4'-P-C4' energy: -38.996 flat angles P-C4'-P energy: -16.071 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1067.366914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.366914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.366914 (E_RNA) where: Base-Base interactions energy: -750.897 where: short stacking energy: -304.706 Base-Backbone interact. energy: -2.314 local terms energy: -314.155303 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -60.753 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -52.994 tors. eta vs tors. theta energy: -79.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1040.018301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.018301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.018301 (E_RNA) where: Base-Base interactions energy: -726.344 where: short stacking energy: -295.874 Base-Backbone interact. energy: -3.330 local terms energy: -310.344354 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -54.385 flat angles C4'-P-C4' energy: -63.079 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -968.933959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.933959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.933959 (E_RNA) where: Base-Base interactions energy: -670.021 where: short stacking energy: -284.574 Base-Backbone interact. energy: -0.523 local terms energy: -298.389822 where: bonds (distance) C4'-P energy: -60.332 bonds (distance) P-C4' energy: -57.495 flat angles C4'-P-C4' energy: -58.054 flat angles P-C4'-P energy: -44.470 tors. eta vs tors. theta energy: -78.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -978.543538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.543538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.543538 (E_RNA) where: Base-Base interactions energy: -692.310 where: short stacking energy: -264.529 Base-Backbone interact. energy: -1.376 local terms energy: -284.858407 where: bonds (distance) C4'-P energy: -58.941 bonds (distance) P-C4' energy: -53.786 flat angles C4'-P-C4' energy: -50.773 flat angles P-C4'-P energy: -43.904 tors. eta vs tors. theta energy: -77.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -930.349360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.349360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.349360 (E_RNA) where: Base-Base interactions energy: -634.286 where: short stacking energy: -271.222 Base-Backbone interact. energy: -0.901 local terms energy: -295.162751 where: bonds (distance) C4'-P energy: -54.117 bonds (distance) P-C4' energy: -62.494 flat angles C4'-P-C4' energy: -55.055 flat angles P-C4'-P energy: -39.338 tors. eta vs tors. theta energy: -84.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -838.174667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.174667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.174667 (E_RNA) where: Base-Base interactions energy: -598.884 where: short stacking energy: -253.192 Base-Backbone interact. energy: -2.126 local terms energy: -237.164737 where: bonds (distance) C4'-P energy: -45.447 bonds (distance) P-C4' energy: -41.881 flat angles C4'-P-C4' energy: -54.178 flat angles P-C4'-P energy: -33.494 tors. eta vs tors. theta energy: -62.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -729.424881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.424881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.424881 (E_RNA) where: Base-Base interactions energy: -467.451 where: short stacking energy: -223.053 Base-Backbone interact. energy: -0.508 local terms energy: -261.465768 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -61.156 flat angles P-C4'-P energy: -36.600 tors. eta vs tors. theta energy: -51.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -662.601404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.601404 (E_RNA) where: Base-Base interactions energy: -457.738 where: short stacking energy: -200.502 Base-Backbone interact. energy: -0.568 local terms energy: -204.295306 where: bonds (distance) C4'-P energy: -42.567 bonds (distance) P-C4' energy: -36.237 flat angles C4'-P-C4' energy: -54.142 flat angles P-C4'-P energy: -29.076 tors. eta vs tors. theta energy: -42.274 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -452.350876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.350876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.350876 (E_RNA) where: Base-Base interactions energy: -260.876 where: short stacking energy: -140.699 Base-Backbone interact. energy: 3.353 local terms energy: -194.827383 where: bonds (distance) C4'-P energy: -50.417 bonds (distance) P-C4' energy: -54.869 flat angles C4'-P-C4' energy: -40.939 flat angles P-C4'-P energy: -18.903 tors. eta vs tors. theta energy: -29.700 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: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -426.469901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.469901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.469901 (E_RNA) where: Base-Base interactions energy: -246.741 where: short stacking energy: -106.976 Base-Backbone interact. energy: 2.576 local terms energy: -182.304221 where: bonds (distance) C4'-P energy: -50.591 bonds (distance) P-C4' energy: -52.105 flat angles C4'-P-C4' energy: -46.666 flat angles P-C4'-P energy: -17.329 tors. eta vs tors. theta energy: -15.614 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: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1059.259310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.259310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.259310 (E_RNA) where: Base-Base interactions energy: -752.309 where: short stacking energy: -308.202 Base-Backbone interact. energy: -1.179 local terms energy: -305.771214 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -56.174 flat angles C4'-P-C4' energy: -62.917 flat angles P-C4'-P energy: -39.094 tors. eta vs tors. theta energy: -92.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1041.618663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.618663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.618663 (E_RNA) where: Base-Base interactions energy: -732.517 where: short stacking energy: -288.615 Base-Backbone interact. energy: -1.732 local terms energy: -307.370147 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -69.928 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -79.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -991.522865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.522865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.522865 (E_RNA) where: Base-Base interactions energy: -682.274 where: short stacking energy: -293.429 Base-Backbone interact. energy: -1.407 local terms energy: -307.841928 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -54.542 flat angles C4'-P-C4' energy: -61.371 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -82.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -982.791713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.791713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.791713 (E_RNA) where: Base-Base interactions energy: -712.117 where: short stacking energy: -264.880 Base-Backbone interact. energy: -0.499 local terms energy: -270.175783 where: bonds (distance) C4'-P energy: -44.724 bonds (distance) P-C4' energy: -49.303 flat angles C4'-P-C4' energy: -55.322 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -75.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -932.089058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.089058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.089058 (E_RNA) where: Base-Base interactions energy: -659.901 where: short stacking energy: -286.093 Base-Backbone interact. energy: -0.483 local terms energy: -271.704905 where: bonds (distance) C4'-P energy: -52.771 bonds (distance) P-C4' energy: -46.240 flat angles C4'-P-C4' energy: -56.860 flat angles P-C4'-P energy: -33.580 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: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -837.735344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.735344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.735344 (E_RNA) where: Base-Base interactions energy: -570.646 where: short stacking energy: -238.099 Base-Backbone interact. energy: 0.102 local terms energy: -267.191734 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -53.967 flat angles P-C4'-P energy: -33.904 tors. eta vs tors. theta energy: -68.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -718.607418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.607418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.607418 (E_RNA) where: Base-Base interactions energy: -482.540 where: short stacking energy: -225.947 Base-Backbone interact. energy: -0.968 local terms energy: -235.099407 where: bonds (distance) C4'-P energy: -60.991 bonds (distance) P-C4' energy: -51.293 flat angles C4'-P-C4' energy: -44.115 flat angles P-C4'-P energy: -31.435 tors. eta vs tors. theta energy: -47.266 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: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -675.527095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.527095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.527095 (E_RNA) where: Base-Base interactions energy: -463.457 where: short stacking energy: -206.308 Base-Backbone interact. energy: -0.304 local terms energy: -211.766123 where: bonds (distance) C4'-P energy: -40.684 bonds (distance) P-C4' energy: -54.045 flat angles C4'-P-C4' energy: -53.258 flat angles P-C4'-P energy: -13.715 tors. eta vs tors. theta energy: -50.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -446.244018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.244018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.244018 (E_RNA) where: Base-Base interactions energy: -263.493 where: short stacking energy: -127.667 Base-Backbone interact. energy: -1.671 local terms energy: -181.079777 where: bonds (distance) C4'-P energy: -44.241 bonds (distance) P-C4' energy: -49.186 flat angles C4'-P-C4' energy: -42.881 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -11.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -402.336415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.336415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.336415 (E_RNA) where: Base-Base interactions energy: -229.371 where: short stacking energy: -126.978 Base-Backbone interact. energy: -1.317 local terms energy: -171.647986 where: bonds (distance) C4'-P energy: -46.682 bonds (distance) P-C4' energy: -45.002 flat angles C4'-P-C4' energy: -52.918 flat angles P-C4'-P energy: -29.398 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: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1066.985916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.985916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.985916 (E_RNA) where: Base-Base interactions energy: -746.734 where: short stacking energy: -307.358 Base-Backbone interact. energy: -1.866 local terms energy: -318.386194 where: bonds (distance) C4'-P energy: -59.616 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -65.494 flat angles P-C4'-P energy: -41.670 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: 2, replica: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1026.092065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.092065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.092065 (E_RNA) where: Base-Base interactions energy: -730.941 where: short stacking energy: -274.600 Base-Backbone interact. energy: -1.057 local terms energy: -294.094597 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -62.412 flat angles P-C4'-P energy: -44.163 tors. eta vs tors. theta energy: -73.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1020.968856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.968856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.968856 (E_RNA) where: Base-Base interactions energy: -727.809 where: short stacking energy: -286.850 Base-Backbone interact. energy: 0.272 local terms energy: -293.431686 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -55.439 flat angles C4'-P-C4' energy: -63.678 flat angles P-C4'-P energy: -38.680 tors. eta vs tors. theta energy: -79.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -973.366356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.366356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.366356 (E_RNA) where: Base-Base interactions energy: -676.257 where: short stacking energy: -272.574 Base-Backbone interact. energy: -0.972 local terms energy: -296.137585 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -52.733 flat angles C4'-P-C4' energy: -65.248 flat angles P-C4'-P energy: -41.634 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: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -935.409877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.409877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.409877 (E_RNA) where: Base-Base interactions energy: -641.186 where: short stacking energy: -275.550 Base-Backbone interact. energy: -0.397 local terms energy: -293.826266 where: bonds (distance) C4'-P energy: -50.255 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -59.674 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -87.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -858.067974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.067974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.067974 (E_RNA) where: Base-Base interactions energy: -604.114 where: short stacking energy: -246.243 Base-Backbone interact. energy: 2.508 local terms energy: -256.462160 where: bonds (distance) C4'-P energy: -54.975 bonds (distance) P-C4' energy: -50.060 flat angles C4'-P-C4' energy: -53.334 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -61.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -731.725855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.725855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.725855 (E_RNA) where: Base-Base interactions energy: -488.712 where: short stacking energy: -222.214 Base-Backbone interact. energy: 0.475 local terms energy: -243.488564 where: bonds (distance) C4'-P energy: -47.386 bonds (distance) P-C4' energy: -47.953 flat angles C4'-P-C4' energy: -55.369 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: -55.813 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: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -655.215402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.215402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.215402 (E_RNA) where: Base-Base interactions energy: -427.446 where: short stacking energy: -193.963 Base-Backbone interact. energy: 2.245 local terms energy: -230.015148 where: bonds (distance) C4'-P energy: -57.190 bonds (distance) P-C4' energy: -53.425 flat angles C4'-P-C4' energy: -54.948 flat angles P-C4'-P energy: -25.066 tors. eta vs tors. theta energy: -39.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -466.119014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.119014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.119014 (E_RNA) where: Base-Base interactions energy: -265.204 where: short stacking energy: -127.181 Base-Backbone interact. energy: -2.331 local terms energy: -198.584075 where: bonds (distance) C4'-P energy: -55.452 bonds (distance) P-C4' energy: -56.585 flat angles C4'-P-C4' energy: -44.915 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -6.815 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: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -327.539553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.539553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.539553 (E_RNA) where: Base-Base interactions energy: -166.169 where: short stacking energy: -86.321 Base-Backbone interact. energy: -0.437 local terms energy: -160.933346 where: bonds (distance) C4'-P energy: -39.092 bonds (distance) P-C4' energy: -34.877 flat angles C4'-P-C4' energy: -43.566 flat angles P-C4'-P energy: -35.808 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1056.114426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.114426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.114426 (E_RNA) where: Base-Base interactions energy: -743.456 where: short stacking energy: -308.691 Base-Backbone interact. energy: -0.841 local terms energy: -311.817816 where: bonds (distance) C4'-P energy: -56.836 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -62.051 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -88.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1030.443902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.443902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.443902 (E_RNA) where: Base-Base interactions energy: -731.280 where: short stacking energy: -294.066 Base-Backbone interact. energy: -1.060 local terms energy: -298.104039 where: bonds (distance) C4'-P energy: -54.682 bonds (distance) P-C4' energy: -62.353 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -84.527 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: 3, replica: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1014.102774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.102774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.102774 (E_RNA) where: Base-Base interactions energy: -725.285 where: short stacking energy: -294.775 Base-Backbone interact. energy: -1.472 local terms energy: -287.345877 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -45.591 flat angles C4'-P-C4' energy: -65.147 flat angles P-C4'-P energy: -43.705 tors. eta vs tors. theta energy: -82.008 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: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -966.413665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.413665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.413665 (E_RNA) where: Base-Base interactions energy: -674.668 where: short stacking energy: -276.643 Base-Backbone interact. energy: -1.678 local terms energy: -290.067627 where: bonds (distance) C4'-P energy: -52.146 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -64.027 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: -75.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -946.258655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.258655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.258655 (E_RNA) where: Base-Base interactions energy: -656.303 where: short stacking energy: -286.832 Base-Backbone interact. energy: -0.458 local terms energy: -289.497929 where: bonds (distance) C4'-P energy: -62.515 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -48.844 flat angles P-C4'-P energy: -40.326 tors. eta vs tors. theta energy: -85.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -810.836804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.836804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.836804 (E_RNA) where: Base-Base interactions energy: -571.223 where: short stacking energy: -234.857 Base-Backbone interact. energy: -1.190 local terms energy: -238.423835 where: bonds (distance) C4'-P energy: -43.980 bonds (distance) P-C4' energy: -49.979 flat angles C4'-P-C4' energy: -50.564 flat angles P-C4'-P energy: -33.409 tors. eta vs tors. theta energy: -60.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -731.352281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.352281 (E_RNA) where: Base-Base interactions energy: -473.989 where: short stacking energy: -201.620 Base-Backbone interact. energy: -1.293 local terms energy: -256.070269 where: bonds (distance) C4'-P energy: -49.361 bonds (distance) P-C4' energy: -52.296 flat angles C4'-P-C4' energy: -54.853 flat angles P-C4'-P energy: -46.866 tors. eta vs tors. theta energy: -52.694 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: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -676.099126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.099126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.099126 (E_RNA) where: Base-Base interactions energy: -448.173 where: short stacking energy: -182.447 Base-Backbone interact. energy: -0.910 local terms energy: -227.016215 where: bonds (distance) C4'-P energy: -57.848 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -42.168 flat angles P-C4'-P energy: -32.929 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: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -513.698462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.698462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.698462 (E_RNA) where: Base-Base interactions energy: -303.680 where: short stacking energy: -149.499 Base-Backbone interact. energy: -0.920 local terms energy: -209.098567 where: bonds (distance) C4'-P energy: -43.532 bonds (distance) P-C4' energy: -40.954 flat angles C4'-P-C4' energy: -57.666 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: -28.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -321.489652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.489652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.489652 (E_RNA) where: Base-Base interactions energy: -174.534 where: short stacking energy: -103.014 Base-Backbone interact. energy: 1.164 local terms energy: -148.120076 where: bonds (distance) C4'-P energy: -32.634 bonds (distance) P-C4' energy: -47.172 flat angles C4'-P-C4' energy: -40.679 flat angles P-C4'-P energy: -26.296 tors. eta vs tors. theta energy: -1.339 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: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1042.599650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.599650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.599650 (E_RNA) where: Base-Base interactions energy: -743.194 where: short stacking energy: -288.289 Base-Backbone interact. energy: -1.140 local terms energy: -298.265267 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -53.850 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -78.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1062.808796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.808796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.808796 (E_RNA) where: Base-Base interactions energy: -752.839 where: short stacking energy: -315.257 Base-Backbone interact. energy: -1.939 local terms energy: -308.030869 where: bonds (distance) C4'-P energy: -52.257 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -61.917 flat angles P-C4'-P energy: -43.904 tors. eta vs tors. theta energy: -91.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1012.849707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.849707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.849707 (E_RNA) where: Base-Base interactions energy: -718.307 where: short stacking energy: -278.585 Base-Backbone interact. energy: -0.089 local terms energy: -294.453673 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -52.708 flat angles C4'-P-C4' energy: -66.057 flat angles P-C4'-P energy: -38.605 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -964.009017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.009017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.009017 (E_RNA) where: Base-Base interactions energy: -671.541 where: short stacking energy: -286.808 Base-Backbone interact. energy: -0.946 local terms energy: -291.522612 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -52.591 flat angles C4'-P-C4' energy: -61.806 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -78.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -911.600688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.600688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.600688 (E_RNA) where: Base-Base interactions energy: -639.381 where: short stacking energy: -250.882 Base-Backbone interact. energy: -0.874 local terms energy: -271.345182 where: bonds (distance) C4'-P energy: -48.009 bonds (distance) P-C4' energy: -47.699 flat angles C4'-P-C4' energy: -56.875 flat angles P-C4'-P energy: -45.759 tors. eta vs tors. theta energy: -73.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -826.124649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.124649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.124649 (E_RNA) where: Base-Base interactions energy: -578.234 where: short stacking energy: -244.976 Base-Backbone interact. energy: -0.246 local terms energy: -247.644209 where: bonds (distance) C4'-P energy: -42.466 bonds (distance) P-C4' energy: -41.229 flat angles C4'-P-C4' energy: -67.218 flat angles P-C4'-P energy: -30.472 tors. eta vs tors. theta energy: -66.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -724.377581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.377581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.377581 (E_RNA) where: Base-Base interactions energy: -496.145 where: short stacking energy: -217.647 Base-Backbone interact. energy: 1.032 local terms energy: -229.264475 where: bonds (distance) C4'-P energy: -40.545 bonds (distance) P-C4' energy: -50.722 flat angles C4'-P-C4' energy: -50.067 flat angles P-C4'-P energy: -35.052 tors. eta vs tors. theta energy: -52.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -661.097488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.097488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.097488 (E_RNA) where: Base-Base interactions energy: -455.566 where: short stacking energy: -201.134 Base-Backbone interact. energy: -0.878 local terms energy: -204.654230 where: bonds (distance) C4'-P energy: -51.333 bonds (distance) P-C4' energy: -36.675 flat angles C4'-P-C4' energy: -51.891 flat angles P-C4'-P energy: -19.925 tors. eta vs tors. theta energy: -44.831 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: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -494.411427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.411427 (E_RNA) where: Base-Base interactions energy: -309.839 where: short stacking energy: -138.660 Base-Backbone interact. energy: -0.134 local terms energy: -184.438861 where: bonds (distance) C4'-P energy: -30.735 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -47.865 flat angles P-C4'-P energy: -31.016 tors. eta vs tors. theta energy: -16.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -372.878172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.878172 (E_RNA) where: Base-Base interactions energy: -197.445 where: short stacking energy: -117.398 Base-Backbone interact. energy: -0.645 local terms energy: -174.787718 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -42.955 flat angles C4'-P-C4' energy: -47.897 flat angles P-C4'-P energy: -26.221 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1048.046609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.046609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.046609 (E_RNA) where: Base-Base interactions energy: -740.501 where: short stacking energy: -301.213 Base-Backbone interact. energy: -0.357 local terms energy: -307.188650 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -62.025 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -43.484 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: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1037.336564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.336564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.336564 (E_RNA) where: Base-Base interactions energy: -745.097 where: short stacking energy: -298.976 Base-Backbone interact. energy: -0.896 local terms energy: -291.343748 where: bonds (distance) C4'-P energy: -49.930 bonds (distance) P-C4' energy: -56.366 flat angles C4'-P-C4' energy: -68.527 flat angles P-C4'-P energy: -35.745 tors. eta vs tors. theta energy: -80.775 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: 449 Temperature: 1.000000 Total energy: -1005.081835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.081835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.081835 (E_RNA) where: Base-Base interactions energy: -730.191 where: short stacking energy: -286.600 Base-Backbone interact. energy: 3.289 local terms energy: -278.180273 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -48.664 flat angles C4'-P-C4' energy: -63.349 flat angles P-C4'-P energy: -39.471 tors. eta vs tors. theta energy: -70.859 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: 449 Temperature: 1.050000 Total energy: -961.341127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.341127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.341127 (E_RNA) where: Base-Base interactions energy: -671.861 where: short stacking energy: -282.417 Base-Backbone interact. energy: -1.170 local terms energy: -288.309744 where: bonds (distance) C4'-P energy: -56.845 bonds (distance) P-C4' energy: -54.203 flat angles C4'-P-C4' energy: -62.951 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: -76.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -924.042010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.042010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.042010 (E_RNA) where: Base-Base interactions energy: -639.238 where: short stacking energy: -262.765 Base-Backbone interact. energy: -1.082 local terms energy: -283.721841 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -57.147 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: -76.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -830.905795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.905795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.905795 (E_RNA) where: Base-Base interactions energy: -568.891 where: short stacking energy: -227.096 Base-Backbone interact. energy: -0.342 local terms energy: -261.672643 where: bonds (distance) C4'-P energy: -50.384 bonds (distance) P-C4' energy: -48.674 flat angles C4'-P-C4' energy: -56.178 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -68.521 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: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -696.951903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.951903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.951903 (E_RNA) where: Base-Base interactions energy: -455.221 where: short stacking energy: -193.306 Base-Backbone interact. energy: -1.991 local terms energy: -239.740081 where: bonds (distance) C4'-P energy: -47.957 bonds (distance) P-C4' energy: -50.987 flat angles C4'-P-C4' energy: -52.292 flat angles P-C4'-P energy: -37.493 tors. eta vs tors. theta energy: -51.011 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: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -687.075437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.075437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.075437 (E_RNA) where: Base-Base interactions energy: -468.521 where: short stacking energy: -204.749 Base-Backbone interact. energy: 0.738 local terms energy: -219.292462 where: bonds (distance) C4'-P energy: -39.361 bonds (distance) P-C4' energy: -42.640 flat angles C4'-P-C4' energy: -52.051 flat angles P-C4'-P energy: -36.024 tors. eta vs tors. theta energy: -49.217 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: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -457.606371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.606371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.606371 (E_RNA) where: Base-Base interactions energy: -266.838 where: short stacking energy: -125.861 Base-Backbone interact. energy: -0.803 local terms energy: -189.965679 where: bonds (distance) C4'-P energy: -41.168 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -50.127 flat angles P-C4'-P energy: -27.685 tors. eta vs tors. theta energy: -15.808 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: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -378.613731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.613731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.613731 (E_RNA) where: Base-Base interactions energy: -214.274 where: short stacking energy: -103.102 Base-Backbone interact. energy: -0.914 local terms energy: -163.425754 where: bonds (distance) C4'-P energy: -47.694 bonds (distance) P-C4' energy: -51.103 flat angles C4'-P-C4' energy: -37.474 flat angles P-C4'-P energy: -21.926 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1062.754271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.754271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.754271 (E_RNA) where: Base-Base interactions energy: -745.892 where: short stacking energy: -305.605 Base-Backbone interact. energy: -1.072 local terms energy: -315.790564 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -68.129 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -84.813 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: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1039.310340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.310340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.310340 (E_RNA) where: Base-Base interactions energy: -742.184 where: short stacking energy: -296.049 Base-Backbone interact. energy: 0.277 local terms energy: -297.402590 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -65.181 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -72.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -972.767018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.767018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.767018 (E_RNA) where: Base-Base interactions energy: -680.266 where: short stacking energy: -274.893 Base-Backbone interact. energy: -0.825 local terms energy: -291.676852 where: bonds (distance) C4'-P energy: -52.272 bonds (distance) P-C4' energy: -51.956 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -45.678 tors. eta vs tors. theta energy: -82.262 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: 450 Temperature: 1.050000 Total energy: -985.733852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.733852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.733852 (E_RNA) where: Base-Base interactions energy: -698.952 where: short stacking energy: -283.591 Base-Backbone interact. energy: -1.766 local terms energy: -285.015814 where: bonds (distance) C4'-P energy: -49.716 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -59.829 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -70.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -897.166923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.166923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.166923 (E_RNA) where: Base-Base interactions energy: -620.889 where: short stacking energy: -253.012 Base-Backbone interact. energy: -0.958 local terms energy: -275.319460 where: bonds (distance) C4'-P energy: -49.198 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -35.299 tors. eta vs tors. theta energy: -72.803 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: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -848.615169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.615169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.615169 (E_RNA) where: Base-Base interactions energy: -589.810 where: short stacking energy: -247.705 Base-Backbone interact. energy: -1.535 local terms energy: -257.270042 where: bonds (distance) C4'-P energy: -34.815 bonds (distance) P-C4' energy: -53.012 flat angles C4'-P-C4' energy: -56.891 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -70.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -706.925385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.925385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.925385 (E_RNA) where: Base-Base interactions energy: -468.288 where: short stacking energy: -209.894 Base-Backbone interact. energy: -0.820 local terms energy: -237.817569 where: bonds (distance) C4'-P energy: -45.976 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -49.502 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -46.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -638.907896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.907896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.907896 (E_RNA) where: Base-Base interactions energy: -423.167 where: short stacking energy: -162.917 Base-Backbone interact. energy: 0.419 local terms energy: -216.160174 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -49.437 flat angles C4'-P-C4' energy: -47.257 flat angles P-C4'-P energy: -32.761 tors. eta vs tors. theta energy: -28.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -467.391096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.391096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.391096 (E_RNA) where: Base-Base interactions energy: -278.612 where: short stacking energy: -135.230 Base-Backbone interact. energy: -0.605 local terms energy: -188.174319 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -50.430 flat angles C4'-P-C4' energy: -48.329 flat angles P-C4'-P energy: -18.435 tors. eta vs tors. theta energy: -13.924 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: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -352.798230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.798230 (E_RNA) where: Base-Base interactions energy: -166.053 where: short stacking energy: -99.389 Base-Backbone interact. energy: 0.863 local terms energy: -187.608277 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -49.143 flat angles C4'-P-C4' energy: -46.015 flat angles P-C4'-P energy: -36.504 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1079.505949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.505949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.505949 (E_RNA) where: Base-Base interactions energy: -774.975 where: short stacking energy: -315.252 Base-Backbone interact. energy: -0.830 local terms energy: -303.700703 where: bonds (distance) C4'-P energy: -54.005 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -39.692 tors. eta vs tors. theta energy: -80.678 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: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1032.092621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.092621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.092621 (E_RNA) where: Base-Base interactions energy: -725.405 where: short stacking energy: -298.176 Base-Backbone interact. energy: -0.582 local terms energy: -306.105826 where: bonds (distance) C4'-P energy: -62.373 bonds (distance) P-C4' energy: -54.910 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -42.324 tors. eta vs tors. theta energy: -80.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -978.939354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.939354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.939354 (E_RNA) where: Base-Base interactions energy: -694.823 where: short stacking energy: -283.049 Base-Backbone interact. energy: -0.733 local terms energy: -283.383414 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -45.710 flat angles C4'-P-C4' energy: -56.827 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -85.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -976.449920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.449920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.449920 (E_RNA) where: Base-Base interactions energy: -678.803 where: short stacking energy: -271.388 Base-Backbone interact. energy: -1.289 local terms energy: -296.358392 where: bonds (distance) C4'-P energy: -52.147 bonds (distance) P-C4' energy: -52.429 flat angles C4'-P-C4' energy: -56.847 flat angles P-C4'-P energy: -52.597 tors. eta vs tors. theta energy: -82.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -909.947182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.947182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.947182 (E_RNA) where: Base-Base interactions energy: -614.864 where: short stacking energy: -263.406 Base-Backbone interact. energy: 0.907 local terms energy: -295.989472 where: bonds (distance) C4'-P energy: -63.259 bonds (distance) P-C4' energy: -55.966 flat angles C4'-P-C4' energy: -59.080 flat angles P-C4'-P energy: -39.842 tors. eta vs tors. theta energy: -77.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -840.922899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.922899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.922899 (E_RNA) where: Base-Base interactions energy: -581.670 where: short stacking energy: -243.649 Base-Backbone interact. energy: -0.779 local terms energy: -258.474616 where: bonds (distance) C4'-P energy: -48.660 bonds (distance) P-C4' energy: -53.881 flat angles C4'-P-C4' energy: -54.485 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -58.443 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: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -769.114023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.114023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.114023 (E_RNA) where: Base-Base interactions energy: -534.263 where: short stacking energy: -249.065 Base-Backbone interact. energy: -1.007 local terms energy: -233.844687 where: bonds (distance) C4'-P energy: -46.636 bonds (distance) P-C4' energy: -39.384 flat angles C4'-P-C4' energy: -49.139 flat angles P-C4'-P energy: -33.437 tors. eta vs tors. theta energy: -65.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -613.656035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.656035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.656035 (E_RNA) where: Base-Base interactions energy: -412.007 where: short stacking energy: -182.953 Base-Backbone interact. energy: -3.088 local terms energy: -198.561286 where: bonds (distance) C4'-P energy: -46.307 bonds (distance) P-C4' energy: -42.134 flat angles C4'-P-C4' energy: -47.368 flat angles P-C4'-P energy: -26.773 tors. eta vs tors. theta energy: -35.979 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: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -461.508196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.508196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.508196 (E_RNA) where: Base-Base interactions energy: -278.100 where: short stacking energy: -127.133 Base-Backbone interact. energy: -0.186 local terms energy: -183.221750 where: bonds (distance) C4'-P energy: -48.402 bonds (distance) P-C4' energy: -51.899 flat angles C4'-P-C4' energy: -30.440 flat angles P-C4'-P energy: -35.574 tors. eta vs tors. theta energy: -16.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -337.447059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.447059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.447059 (E_RNA) where: Base-Base interactions energy: -151.177 where: short stacking energy: -99.228 Base-Backbone interact. energy: 1.287 local terms energy: -187.557435 where: bonds (distance) C4'-P energy: -46.768 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -46.372 flat angles P-C4'-P energy: -21.174 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1085.548818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.548818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.548818 (E_RNA) where: Base-Base interactions energy: -761.326 where: short stacking energy: -311.751 Base-Backbone interact. energy: -0.859 local terms energy: -323.364525 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -61.272 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -48.739 tors. eta vs tors. theta energy: -92.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1039.416804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.416804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.416804 (E_RNA) where: Base-Base interactions energy: -737.483 where: short stacking energy: -292.597 Base-Backbone interact. energy: 1.089 local terms energy: -303.022326 where: bonds (distance) C4'-P energy: -61.139 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -56.687 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -80.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1002.217844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.217844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.217844 (E_RNA) where: Base-Base interactions energy: -711.122 where: short stacking energy: -295.673 Base-Backbone interact. energy: 0.461 local terms energy: -291.557244 where: bonds (distance) C4'-P energy: -47.257 bonds (distance) P-C4' energy: -48.510 flat angles C4'-P-C4' energy: -62.782 flat angles P-C4'-P energy: -50.624 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: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -979.743324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.743324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.743324 (E_RNA) where: Base-Base interactions energy: -692.376 where: short stacking energy: -299.002 Base-Backbone interact. energy: -1.282 local terms energy: -286.084956 where: bonds (distance) C4'-P energy: -52.558 bonds (distance) P-C4' energy: -51.074 flat angles C4'-P-C4' energy: -58.499 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -82.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -906.554432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.554432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.554432 (E_RNA) where: Base-Base interactions energy: -614.292 where: short stacking energy: -258.932 Base-Backbone interact. energy: -0.629 local terms energy: -291.633496 where: bonds (distance) C4'-P energy: -54.224 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -55.102 flat angles P-C4'-P energy: -43.197 tors. eta vs tors. theta energy: -75.077 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: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -855.651801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.651801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.651801 (E_RNA) where: Base-Base interactions energy: -602.375 where: short stacking energy: -260.774 Base-Backbone interact. energy: -0.765 local terms energy: -252.511303 where: bonds (distance) C4'-P energy: -33.212 bonds (distance) P-C4' energy: -47.584 flat angles C4'-P-C4' energy: -59.713 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -76.440 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: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -765.774429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.774429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.774429 (E_RNA) where: Base-Base interactions energy: -502.189 where: short stacking energy: -225.778 Base-Backbone interact. energy: -1.295 local terms energy: -262.290492 where: bonds (distance) C4'-P energy: -48.524 bonds (distance) P-C4' energy: -56.355 flat angles C4'-P-C4' energy: -58.391 flat angles P-C4'-P energy: -33.894 tors. eta vs tors. theta energy: -65.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -676.564832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.564832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.564832 (E_RNA) where: Base-Base interactions energy: -432.204 where: short stacking energy: -201.540 Base-Backbone interact. energy: -0.030 local terms energy: -244.330625 where: bonds (distance) C4'-P energy: -47.334 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -47.021 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -53.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -462.077031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.077031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.077031 (E_RNA) where: Base-Base interactions energy: -293.501 where: short stacking energy: -137.157 Base-Backbone interact. energy: -1.285 local terms energy: -167.291679 where: bonds (distance) C4'-P energy: -41.206 bonds (distance) P-C4' energy: -46.196 flat angles C4'-P-C4' energy: -33.243 flat angles P-C4'-P energy: -28.487 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -437.149959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.149959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.149959 (E_RNA) where: Base-Base interactions energy: -248.497 where: short stacking energy: -125.366 Base-Backbone interact. energy: -0.417 local terms energy: -188.236016 where: bonds (distance) C4'-P energy: -52.583 bonds (distance) P-C4' energy: -52.115 flat angles C4'-P-C4' energy: -37.657 flat angles P-C4'-P energy: -31.639 tors. eta vs tors. theta energy: -14.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1069.910370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.910370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.910370 (E_RNA) where: Base-Base interactions energy: -758.962 where: short stacking energy: -311.661 Base-Backbone interact. energy: -0.883 local terms energy: -310.066057 where: bonds (distance) C4'-P energy: -57.864 bonds (distance) P-C4' energy: -57.085 flat angles C4'-P-C4' energy: -66.157 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: -88.844 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: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1036.019568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.019568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.019568 (E_RNA) where: Base-Base interactions energy: -726.416 where: short stacking energy: -302.031 Base-Backbone interact. energy: -1.623 local terms energy: -307.980752 where: bonds (distance) C4'-P energy: -56.590 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -58.249 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -85.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1022.651787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.651787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.651787 (E_RNA) where: Base-Base interactions energy: -729.915 where: short stacking energy: -281.960 Base-Backbone interact. energy: -1.239 local terms energy: -291.497689 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -55.594 flat angles C4'-P-C4' energy: -65.884 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: -82.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -972.173991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.173991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.173991 (E_RNA) where: Base-Base interactions energy: -679.044 where: short stacking energy: -277.081 Base-Backbone interact. energy: -1.330 local terms energy: -291.800415 where: bonds (distance) C4'-P energy: -51.169 bonds (distance) P-C4' energy: -56.822 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -40.189 tors. eta vs tors. theta energy: -77.319 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: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -904.162497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.162497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.162497 (E_RNA) where: Base-Base interactions energy: -637.219 where: short stacking energy: -274.128 Base-Backbone interact. energy: -0.707 local terms energy: -266.235955 where: bonds (distance) C4'-P energy: -49.530 bonds (distance) P-C4' energy: -47.104 flat angles C4'-P-C4' energy: -53.681 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: -80.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -869.944486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.944486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.944486 (E_RNA) where: Base-Base interactions energy: -595.062 where: short stacking energy: -250.047 Base-Backbone interact. energy: -0.956 local terms energy: -273.926346 where: bonds (distance) C4'-P energy: -44.733 bonds (distance) P-C4' energy: -57.343 flat angles C4'-P-C4' energy: -57.187 flat angles P-C4'-P energy: -46.835 tors. eta vs tors. theta energy: -67.829 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: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -755.180419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.180419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.180419 (E_RNA) where: Base-Base interactions energy: -500.478 where: short stacking energy: -234.251 Base-Backbone interact. energy: -0.860 local terms energy: -253.842637 where: bonds (distance) C4'-P energy: -50.276 bonds (distance) P-C4' energy: -55.529 flat angles C4'-P-C4' energy: -55.263 flat angles P-C4'-P energy: -32.309 tors. eta vs tors. theta energy: -60.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -630.603522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.603522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.603522 (E_RNA) where: Base-Base interactions energy: -431.363 where: short stacking energy: -201.383 Base-Backbone interact. energy: 0.007 local terms energy: -199.247185 where: bonds (distance) C4'-P energy: -33.762 bonds (distance) P-C4' energy: -45.025 flat angles C4'-P-C4' energy: -53.215 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -38.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -448.582249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.582249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.582249 (E_RNA) where: Base-Base interactions energy: -263.286 where: short stacking energy: -126.058 Base-Backbone interact. energy: -0.085 local terms energy: -185.210998 where: bonds (distance) C4'-P energy: -46.912 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -44.359 flat angles P-C4'-P energy: -16.270 tors. eta vs tors. theta energy: -21.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -444.011501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.011501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.011501 (E_RNA) where: Base-Base interactions energy: -274.671 where: short stacking energy: -129.427 Base-Backbone interact. energy: -0.680 local terms energy: -168.660196 where: bonds (distance) C4'-P energy: -30.610 bonds (distance) P-C4' energy: -43.466 flat angles C4'-P-C4' energy: -47.075 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -10.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1046.208286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.208286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.208286 (E_RNA) where: Base-Base interactions energy: -741.154 where: short stacking energy: -303.737 Base-Backbone interact. energy: -2.377 local terms energy: -302.677324 where: bonds (distance) C4'-P energy: -53.789 bonds (distance) P-C4' energy: -50.653 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -89.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1055.224013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.224013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.224013 (E_RNA) where: Base-Base interactions energy: -735.143 where: short stacking energy: -303.800 Base-Backbone interact. energy: -1.497 local terms energy: -318.584052 where: bonds (distance) C4'-P energy: -49.244 bonds (distance) P-C4' energy: -64.995 flat angles C4'-P-C4' energy: -65.998 flat angles P-C4'-P energy: -46.845 tors. eta vs tors. theta energy: -91.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1009.489169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.489169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.489169 (E_RNA) where: Base-Base interactions energy: -703.064 where: short stacking energy: -277.324 Base-Backbone interact. energy: 0.043 local terms energy: -306.467861 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -62.339 flat angles C4'-P-C4' energy: -56.668 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -80.805 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -957.670989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.670989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.670989 (E_RNA) where: Base-Base interactions energy: -679.208 where: short stacking energy: -288.847 Base-Backbone interact. energy: -1.666 local terms energy: -276.797296 where: bonds (distance) C4'-P energy: -46.739 bonds (distance) P-C4' energy: -54.847 flat angles C4'-P-C4' energy: -61.111 flat angles P-C4'-P energy: -34.855 tors. eta vs tors. theta energy: -79.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -899.500307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.500307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.500307 (E_RNA) where: Base-Base interactions energy: -602.321 where: short stacking energy: -256.944 Base-Backbone interact. energy: -0.198 local terms energy: -296.981589 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -61.389 flat angles P-C4'-P energy: -43.904 tors. eta vs tors. theta energy: -71.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -866.516415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.516415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.516415 (E_RNA) where: Base-Base interactions energy: -609.832 where: short stacking energy: -252.782 Base-Backbone interact. energy: 1.393 local terms energy: -258.076883 where: bonds (distance) C4'-P energy: -47.106 bonds (distance) P-C4' energy: -51.518 flat angles C4'-P-C4' energy: -53.850 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -65.549 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: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -713.858916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.858916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.858916 (E_RNA) where: Base-Base interactions energy: -466.287 where: short stacking energy: -224.879 Base-Backbone interact. energy: -0.462 local terms energy: -247.110065 where: bonds (distance) C4'-P energy: -48.234 bonds (distance) P-C4' energy: -47.906 flat angles C4'-P-C4' energy: -57.623 flat angles P-C4'-P energy: -36.457 tors. eta vs tors. theta energy: -56.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -664.900795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.900795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.900795 (E_RNA) where: Base-Base interactions energy: -452.706 where: short stacking energy: -197.657 Base-Backbone interact. energy: -0.714 local terms energy: -211.480984 where: bonds (distance) C4'-P energy: -54.123 bonds (distance) P-C4' energy: -48.525 flat angles C4'-P-C4' energy: -45.689 flat angles P-C4'-P energy: -21.008 tors. eta vs tors. theta energy: -42.136 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: 454 Temperature: 1.300000 Total energy: -438.239835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.239835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.239835 (E_RNA) where: Base-Base interactions energy: -262.044 where: short stacking energy: -132.152 Base-Backbone interact. energy: -0.872 local terms energy: -175.323619 where: bonds (distance) C4'-P energy: -45.730 bonds (distance) P-C4' energy: -55.234 flat angles C4'-P-C4' energy: -36.772 flat angles P-C4'-P energy: -30.104 tors. eta vs tors. theta energy: -7.484 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: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -422.676288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.676288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.676288 (E_RNA) where: Base-Base interactions energy: -254.907 where: short stacking energy: -137.236 Base-Backbone interact. energy: -0.871 local terms energy: -166.897834 where: bonds (distance) C4'-P energy: -37.887 bonds (distance) P-C4' energy: -47.753 flat angles C4'-P-C4' energy: -49.091 flat angles P-C4'-P energy: -15.790 tors. eta vs tors. theta energy: -16.378 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: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1051.922249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.922249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.922249 (E_RNA) where: Base-Base interactions energy: -751.581 where: short stacking energy: -300.690 Base-Backbone interact. energy: -0.864 local terms energy: -299.477056 where: bonds (distance) C4'-P energy: -51.234 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -46.936 tors. eta vs tors. theta energy: -84.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1055.698714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.698714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.698714 (E_RNA) where: Base-Base interactions energy: -748.247 where: short stacking energy: -300.675 Base-Backbone interact. energy: -0.801 local terms energy: -306.650937 where: bonds (distance) C4'-P energy: -54.415 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -64.494 flat angles P-C4'-P energy: -42.485 tors. eta vs tors. theta energy: -85.397 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: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1027.624570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.624570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.624570 (E_RNA) where: Base-Base interactions energy: -738.491 where: short stacking energy: -280.416 Base-Backbone interact. energy: -0.676 local terms energy: -288.457525 where: bonds (distance) C4'-P energy: -51.845 bonds (distance) P-C4' energy: -50.960 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -78.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -967.198184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.198184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.198184 (E_RNA) where: Base-Base interactions energy: -688.851 where: short stacking energy: -292.108 Base-Backbone interact. energy: -0.756 local terms energy: -277.591341 where: bonds (distance) C4'-P energy: -55.187 bonds (distance) P-C4' energy: -44.959 flat angles C4'-P-C4' energy: -54.098 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -82.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -930.139300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.139300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.139300 (E_RNA) where: Base-Base interactions energy: -631.151 where: short stacking energy: -269.807 Base-Backbone interact. energy: -2.181 local terms energy: -296.807723 where: bonds (distance) C4'-P energy: -53.319 bonds (distance) P-C4' energy: -63.657 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -36.519 tors. eta vs tors. theta energy: -84.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -817.624989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.624989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.624989 (E_RNA) where: Base-Base interactions energy: -564.351 where: short stacking energy: -231.405 Base-Backbone interact. energy: 2.136 local terms energy: -255.410232 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -49.614 flat angles C4'-P-C4' energy: -48.579 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: -62.108 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: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -699.786431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.786431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.786431 (E_RNA) where: Base-Base interactions energy: -467.962 where: short stacking energy: -200.309 Base-Backbone interact. energy: -1.076 local terms energy: -230.748409 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -45.957 flat angles C4'-P-C4' energy: -52.249 flat angles P-C4'-P energy: -34.926 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: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -696.965132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.965132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.965132 (E_RNA) where: Base-Base interactions energy: -467.463 where: short stacking energy: -206.636 Base-Backbone interact. energy: -0.997 local terms energy: -228.505188 where: bonds (distance) C4'-P energy: -52.360 bonds (distance) P-C4' energy: -49.587 flat angles C4'-P-C4' energy: -53.412 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -38.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -461.860207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.860207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.860207 (E_RNA) where: Base-Base interactions energy: -271.692 where: short stacking energy: -148.739 Base-Backbone interact. energy: 0.208 local terms energy: -190.375664 where: bonds (distance) C4'-P energy: -49.496 bonds (distance) P-C4' energy: -46.664 flat angles C4'-P-C4' energy: -46.857 flat angles P-C4'-P energy: -28.809 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: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -455.964134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.964134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.964134 (E_RNA) where: Base-Base interactions energy: -264.445 where: short stacking energy: -145.369 Base-Backbone interact. energy: -1.398 local terms energy: -190.120943 where: bonds (distance) C4'-P energy: -38.409 bonds (distance) P-C4' energy: -55.944 flat angles C4'-P-C4' energy: -48.284 flat angles P-C4'-P energy: -26.629 tors. eta vs tors. theta energy: -20.854 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: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1079.048735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.048735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.048735 (E_RNA) where: Base-Base interactions energy: -781.828 where: short stacking energy: -320.365 Base-Backbone interact. energy: 0.376 local terms energy: -297.595958 where: bonds (distance) C4'-P energy: -49.743 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -59.640 flat angles P-C4'-P energy: -41.895 tors. eta vs tors. theta energy: -88.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1024.238046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.238046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.238046 (E_RNA) where: Base-Base interactions energy: -729.584 where: short stacking energy: -300.985 Base-Backbone interact. energy: -2.009 local terms energy: -292.645018 where: bonds (distance) C4'-P energy: -47.710 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -82.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1006.177080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.177080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.177080 (E_RNA) where: Base-Base interactions energy: -713.440 where: short stacking energy: -286.566 Base-Backbone interact. energy: -1.679 local terms energy: -291.057405 where: bonds (distance) C4'-P energy: -64.854 bonds (distance) P-C4' energy: -45.347 flat angles C4'-P-C4' energy: -62.472 flat angles P-C4'-P energy: -39.360 tors. eta vs tors. theta energy: -79.025 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: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -976.973671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.973671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.973671 (E_RNA) where: Base-Base interactions energy: -682.306 where: short stacking energy: -265.600 Base-Backbone interact. energy: -0.782 local terms energy: -293.886083 where: bonds (distance) C4'-P energy: -52.999 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -59.732 flat angles P-C4'-P energy: -45.306 tors. eta vs tors. theta energy: -76.441 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: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -937.607630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.607630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.607630 (E_RNA) where: Base-Base interactions energy: -661.867 where: short stacking energy: -291.850 Base-Backbone interact. energy: 0.398 local terms energy: -276.138366 where: bonds (distance) C4'-P energy: -46.976 bonds (distance) P-C4' energy: -55.258 flat angles C4'-P-C4' energy: -46.926 flat angles P-C4'-P energy: -41.023 tors. eta vs tors. theta energy: -85.955 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: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -820.905938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.905938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.905938 (E_RNA) where: Base-Base interactions energy: -567.393 where: short stacking energy: -253.776 Base-Backbone interact. energy: -1.364 local terms energy: -252.148672 where: bonds (distance) C4'-P energy: -58.648 bonds (distance) P-C4' energy: -46.022 flat angles C4'-P-C4' energy: -54.144 flat angles P-C4'-P energy: -35.681 tors. eta vs tors. theta energy: -57.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -722.271011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.271011 (E_RNA) where: Base-Base interactions energy: -468.494 where: short stacking energy: -219.598 Base-Backbone interact. energy: -1.011 local terms energy: -252.765280 where: bonds (distance) C4'-P energy: -49.419 bonds (distance) P-C4' energy: -56.173 flat angles C4'-P-C4' energy: -59.664 flat angles P-C4'-P energy: -31.298 tors. eta vs tors. theta energy: -56.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -750.410754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.410754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.410754 (E_RNA) where: Base-Base interactions energy: -508.247 where: short stacking energy: -215.555 Base-Backbone interact. energy: 2.296 local terms energy: -244.459787 where: bonds (distance) C4'-P energy: -48.097 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -43.221 flat angles P-C4'-P energy: -35.399 tors. eta vs tors. theta energy: -57.132 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: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -459.280899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.280899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.280899 (E_RNA) where: Base-Base interactions energy: -291.834 where: short stacking energy: -162.194 Base-Backbone interact. energy: -0.877 local terms energy: -166.569856 where: bonds (distance) C4'-P energy: -39.143 bonds (distance) P-C4' energy: -47.211 flat angles C4'-P-C4' energy: -41.409 flat angles P-C4'-P energy: -21.467 tors. eta vs tors. theta energy: -17.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -370.178612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.178612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.178612 (E_RNA) where: Base-Base interactions energy: -182.097 where: short stacking energy: -93.873 Base-Backbone interact. energy: -1.343 local terms energy: -186.739288 where: bonds (distance) C4'-P energy: -57.978 bonds (distance) P-C4' energy: -40.428 flat angles C4'-P-C4' energy: -43.924 flat angles P-C4'-P energy: -37.464 tors. eta vs tors. theta energy: -6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1070.903325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.903325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.903325 (E_RNA) where: Base-Base interactions energy: -761.360 where: short stacking energy: -314.486 Base-Backbone interact. energy: -2.167 local terms energy: -307.375984 where: bonds (distance) C4'-P energy: -51.526 bonds (distance) P-C4' energy: -48.453 flat angles C4'-P-C4' energy: -68.245 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -92.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1017.161720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.161720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.161720 (E_RNA) where: Base-Base interactions energy: -701.079 where: short stacking energy: -293.101 Base-Backbone interact. energy: 0.357 local terms energy: -316.439654 where: bonds (distance) C4'-P energy: -61.709 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -84.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1017.018322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.018322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.018322 (E_RNA) where: Base-Base interactions energy: -739.654 where: short stacking energy: -286.057 Base-Backbone interact. energy: -1.677 local terms energy: -275.687036 where: bonds (distance) C4'-P energy: -46.897 bonds (distance) P-C4' energy: -53.183 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: -76.466 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: 457 Temperature: 1.050000 Total energy: -976.558885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.558885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.558885 (E_RNA) where: Base-Base interactions energy: -693.418 where: short stacking energy: -292.188 Base-Backbone interact. energy: -1.594 local terms energy: -281.546372 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -44.456 flat angles C4'-P-C4' energy: -56.698 flat angles P-C4'-P energy: -46.079 tors. eta vs tors. theta energy: -81.301 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: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -939.543243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.543243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.543243 (E_RNA) where: Base-Base interactions energy: -649.170 where: short stacking energy: -275.508 Base-Backbone interact. energy: 3.492 local terms energy: -293.864920 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -52.104 flat angles C4'-P-C4' energy: -62.565 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -81.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -846.768409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.768409 (E_RNA) where: Base-Base interactions energy: -592.596 where: short stacking energy: -265.178 Base-Backbone interact. energy: -0.259 local terms energy: -253.912740 where: bonds (distance) C4'-P energy: -54.555 bonds (distance) P-C4' energy: -40.461 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: -65.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -746.308411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.308411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.308411 (E_RNA) where: Base-Base interactions energy: -494.966 where: short stacking energy: -218.976 Base-Backbone interact. energy: -0.649 local terms energy: -250.694045 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -52.330 flat angles C4'-P-C4' energy: -55.070 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -54.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -722.063194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.063194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.063194 (E_RNA) where: Base-Base interactions energy: -502.260 where: short stacking energy: -205.492 Base-Backbone interact. energy: -2.944 local terms energy: -216.858410 where: bonds (distance) C4'-P energy: -45.851 bonds (distance) P-C4' energy: -54.528 flat angles C4'-P-C4' energy: -51.392 flat angles P-C4'-P energy: -24.135 tors. eta vs tors. theta energy: -40.953 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: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -462.121859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.121859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.121859 (E_RNA) where: Base-Base interactions energy: -280.736 where: short stacking energy: -145.879 Base-Backbone interact. energy: 4.051 local terms energy: -185.436974 where: bonds (distance) C4'-P energy: -43.570 bonds (distance) P-C4' energy: -56.290 flat angles C4'-P-C4' energy: -50.950 flat angles P-C4'-P energy: -17.929 tors. eta vs tors. theta energy: -16.697 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: 457 Temperature: 1.350000 Total energy: -337.814522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.814522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.814522 (E_RNA) where: Base-Base interactions energy: -168.260 where: short stacking energy: -109.631 Base-Backbone interact. energy: 2.744 local terms energy: -172.298140 where: bonds (distance) C4'-P energy: -44.440 bonds (distance) P-C4' energy: -47.602 flat angles C4'-P-C4' energy: -47.606 flat angles P-C4'-P energy: -28.728 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1071.697049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.697049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.697049 (E_RNA) where: Base-Base interactions energy: -770.514 where: short stacking energy: -313.917 Base-Backbone interact. energy: -0.995 local terms energy: -300.187479 where: bonds (distance) C4'-P energy: -48.739 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -57.494 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -91.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1032.085465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.085465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.085465 (E_RNA) where: Base-Base interactions energy: -731.545 where: short stacking energy: -290.562 Base-Backbone interact. energy: -2.287 local terms energy: -298.254433 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -56.502 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -84.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1003.367192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.367192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.367192 (E_RNA) where: Base-Base interactions energy: -689.098 where: short stacking energy: -294.478 Base-Backbone interact. energy: -1.449 local terms energy: -312.820273 where: bonds (distance) C4'-P energy: -51.546 bonds (distance) P-C4' energy: -60.634 flat angles C4'-P-C4' energy: -63.468 flat angles P-C4'-P energy: -49.841 tors. eta vs tors. theta energy: -87.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -978.691415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.691415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.691415 (E_RNA) where: Base-Base interactions energy: -698.465 where: short stacking energy: -277.011 Base-Backbone interact. energy: -0.104 local terms energy: -280.122973 where: bonds (distance) C4'-P energy: -54.298 bonds (distance) P-C4' energy: -51.405 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -75.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -939.408413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.408413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.408413 (E_RNA) where: Base-Base interactions energy: -648.736 where: short stacking energy: -276.792 Base-Backbone interact. energy: 2.661 local terms energy: -293.333717 where: bonds (distance) C4'-P energy: -50.085 bonds (distance) P-C4' energy: -62.678 flat angles C4'-P-C4' energy: -62.726 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -74.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -799.819610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.819610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.819610 (E_RNA) where: Base-Base interactions energy: -547.096 where: short stacking energy: -241.320 Base-Backbone interact. energy: -0.628 local terms energy: -252.095633 where: bonds (distance) C4'-P energy: -41.838 bonds (distance) P-C4' energy: -53.625 flat angles C4'-P-C4' energy: -50.283 flat angles P-C4'-P energy: -47.405 tors. eta vs tors. theta energy: -58.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -727.556779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.556779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.556779 (E_RNA) where: Base-Base interactions energy: -491.451 where: short stacking energy: -226.643 Base-Backbone interact. energy: -0.479 local terms energy: -235.626885 where: bonds (distance) C4'-P energy: -40.907 bonds (distance) P-C4' energy: -45.179 flat angles C4'-P-C4' energy: -59.268 flat angles P-C4'-P energy: -31.197 tors. eta vs tors. theta energy: -59.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -762.434431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.434431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.434431 (E_RNA) where: Base-Base interactions energy: -523.504 where: short stacking energy: -222.491 Base-Backbone interact. energy: -1.699 local terms energy: -237.231594 where: bonds (distance) C4'-P energy: -30.765 bonds (distance) P-C4' energy: -51.118 flat angles C4'-P-C4' energy: -61.609 flat angles P-C4'-P energy: -39.737 tors. eta vs tors. theta energy: -54.003 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: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -441.528373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.528373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.528373 (E_RNA) where: Base-Base interactions energy: -264.229 where: short stacking energy: -142.207 Base-Backbone interact. energy: -0.600 local terms energy: -176.700058 where: bonds (distance) C4'-P energy: -43.376 bonds (distance) P-C4' energy: -50.286 flat angles C4'-P-C4' energy: -44.931 flat angles P-C4'-P energy: -18.886 tors. eta vs tors. theta energy: -19.220 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: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -305.810814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.810814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.810814 (E_RNA) where: Base-Base interactions energy: -143.068 where: short stacking energy: -77.706 Base-Backbone interact. energy: -1.544 local terms energy: -161.198812 where: bonds (distance) C4'-P energy: -49.580 bonds (distance) P-C4' energy: -48.427 flat angles C4'-P-C4' energy: -44.003 flat angles P-C4'-P energy: -23.074 tors. eta vs tors. theta energy: 3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1075.611092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.611092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.611092 (E_RNA) where: Base-Base interactions energy: -758.366 where: short stacking energy: -299.905 Base-Backbone interact. energy: -1.748 local terms energy: -315.497122 where: bonds (distance) C4'-P energy: -56.708 bonds (distance) P-C4' energy: -65.559 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -88.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1020.944075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.944075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.944075 (E_RNA) where: Base-Base interactions energy: -735.774 where: short stacking energy: -280.431 Base-Backbone interact. energy: -0.964 local terms energy: -284.205841 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -29.592 tors. eta vs tors. theta energy: -78.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -998.364727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.364727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.364727 (E_RNA) where: Base-Base interactions energy: -711.342 where: short stacking energy: -289.165 Base-Backbone interact. energy: 3.100 local terms energy: -290.122684 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -58.498 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: -88.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -997.561486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.561486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.561486 (E_RNA) where: Base-Base interactions energy: -717.398 where: short stacking energy: -295.292 Base-Backbone interact. energy: -1.443 local terms energy: -278.720873 where: bonds (distance) C4'-P energy: -44.828 bonds (distance) P-C4' energy: -51.194 flat angles C4'-P-C4' energy: -62.508 flat angles P-C4'-P energy: -40.091 tors. eta vs tors. theta energy: -80.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -918.553919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.553919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.553919 (E_RNA) where: Base-Base interactions energy: -644.561 where: short stacking energy: -264.554 Base-Backbone interact. energy: -1.959 local terms energy: -272.033994 where: bonds (distance) C4'-P energy: -51.730 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -56.387 flat angles P-C4'-P energy: -31.821 tors. eta vs tors. theta energy: -78.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -810.264393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.264393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.264393 (E_RNA) where: Base-Base interactions energy: -570.079 where: short stacking energy: -237.445 Base-Backbone interact. energy: 0.315 local terms energy: -240.500278 where: bonds (distance) C4'-P energy: -44.993 bonds (distance) P-C4' energy: -52.606 flat angles C4'-P-C4' energy: -47.061 flat angles P-C4'-P energy: -35.734 tors. eta vs tors. theta energy: -60.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -730.177492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.177492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.177492 (E_RNA) where: Base-Base interactions energy: -482.812 where: short stacking energy: -210.673 Base-Backbone interact. energy: -0.903 local terms energy: -246.462227 where: bonds (distance) C4'-P energy: -43.240 bonds (distance) P-C4' energy: -56.608 flat angles C4'-P-C4' energy: -47.399 flat angles P-C4'-P energy: -36.742 tors. eta vs tors. theta energy: -62.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -724.056808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.056808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.056808 (E_RNA) where: Base-Base interactions energy: -488.656 where: short stacking energy: -212.633 Base-Backbone interact. energy: -1.045 local terms energy: -234.355333 where: bonds (distance) C4'-P energy: -45.315 bonds (distance) P-C4' energy: -51.687 flat angles C4'-P-C4' energy: -49.687 flat angles P-C4'-P energy: -30.614 tors. eta vs tors. theta energy: -57.053 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: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -441.101508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.101508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.101508 (E_RNA) where: Base-Base interactions energy: -250.009 where: short stacking energy: -114.063 Base-Backbone interact. energy: 2.181 local terms energy: -193.273042 where: bonds (distance) C4'-P energy: -50.850 bonds (distance) P-C4' energy: -58.755 flat angles C4'-P-C4' energy: -43.911 flat angles P-C4'-P energy: -25.869 tors. eta vs tors. theta energy: -13.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -269.945012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.945012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.945012 (E_RNA) where: Base-Base interactions energy: -103.436 where: short stacking energy: -90.317 Base-Backbone interact. energy: -0.670 local terms energy: -165.839289 where: bonds (distance) C4'-P energy: -46.071 bonds (distance) P-C4' energy: -50.060 flat angles C4'-P-C4' energy: -45.824 flat angles P-C4'-P energy: -23.304 tors. eta vs tors. theta energy: -0.580 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: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1075.248213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.248213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.248213 (E_RNA) where: Base-Base interactions energy: -762.500 where: short stacking energy: -311.436 Base-Backbone interact. energy: 2.868 local terms energy: -315.615694 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -60.634 flat angles P-C4'-P energy: -44.597 tors. eta vs tors. theta energy: -88.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1052.146912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.146912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.146912 (E_RNA) where: Base-Base interactions energy: -745.748 where: short stacking energy: -293.533 Base-Backbone interact. energy: -1.136 local terms energy: -305.262556 where: bonds (distance) C4'-P energy: -50.148 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -59.983 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -85.000 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: 3, replica: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1007.796165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.796165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.796165 (E_RNA) where: Base-Base interactions energy: -722.514 where: short stacking energy: -290.436 Base-Backbone interact. energy: -0.438 local terms energy: -284.844569 where: bonds (distance) C4'-P energy: -48.472 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -64.472 flat angles P-C4'-P energy: -34.460 tors. eta vs tors. theta energy: -80.029 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: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -965.674767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.674767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.674767 (E_RNA) where: Base-Base interactions energy: -693.517 where: short stacking energy: -287.761 Base-Backbone interact. energy: 0.005 local terms energy: -272.162982 where: bonds (distance) C4'-P energy: -50.394 bonds (distance) P-C4' energy: -56.510 flat angles C4'-P-C4' energy: -60.729 flat angles P-C4'-P energy: -32.128 tors. eta vs tors. theta energy: -72.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -905.356453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.356453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.356453 (E_RNA) where: Base-Base interactions energy: -630.421 where: short stacking energy: -278.683 Base-Backbone interact. energy: -2.253 local terms energy: -272.683043 where: bonds (distance) C4'-P energy: -56.828 bonds (distance) P-C4' energy: -57.258 flat angles C4'-P-C4' energy: -44.261 flat angles P-C4'-P energy: -29.749 tors. eta vs tors. theta energy: -84.587 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: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -777.052572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.052572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.052572 (E_RNA) where: Base-Base interactions energy: -532.266 where: short stacking energy: -226.865 Base-Backbone interact. energy: -1.338 local terms energy: -243.448837 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -54.414 flat angles C4'-P-C4' energy: -54.022 flat angles P-C4'-P energy: -27.734 tors. eta vs tors. theta energy: -49.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -754.851108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.851108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.851108 (E_RNA) where: Base-Base interactions energy: -492.149 where: short stacking energy: -205.176 Base-Backbone interact. energy: -1.168 local terms energy: -261.533552 where: bonds (distance) C4'-P energy: -54.959 bonds (distance) P-C4' energy: -54.217 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -48.353 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: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -741.107211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.107211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.107211 (E_RNA) where: Base-Base interactions energy: -516.110 where: short stacking energy: -214.667 Base-Backbone interact. energy: -0.167 local terms energy: -224.829654 where: bonds (distance) C4'-P energy: -43.586 bonds (distance) P-C4' energy: -44.873 flat angles C4'-P-C4' energy: -59.171 flat angles P-C4'-P energy: -30.110 tors. eta vs tors. theta energy: -47.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -485.387893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.387893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.387893 (E_RNA) where: Base-Base interactions energy: -290.177 where: short stacking energy: -147.838 Base-Backbone interact. energy: 0.403 local terms energy: -195.613687 where: bonds (distance) C4'-P energy: -48.209 bonds (distance) P-C4' energy: -54.390 flat angles C4'-P-C4' energy: -46.793 flat angles P-C4'-P energy: -26.203 tors. eta vs tors. theta energy: -20.018 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: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -263.082596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.082596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.082596 (E_RNA) where: Base-Base interactions energy: -90.958 where: short stacking energy: -88.626 Base-Backbone interact. energy: -0.488 local terms energy: -171.637307 where: bonds (distance) C4'-P energy: -47.655 bonds (distance) P-C4' energy: -52.273 flat angles C4'-P-C4' energy: -42.570 flat angles P-C4'-P energy: -26.666 tors. eta vs tors. theta energy: -2.472 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: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1072.134190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.134190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.134190 (E_RNA) where: Base-Base interactions energy: -765.883 where: short stacking energy: -298.312 Base-Backbone interact. energy: -0.865 local terms energy: -305.386895 where: bonds (distance) C4'-P energy: -55.409 bonds (distance) P-C4' energy: -54.333 flat angles C4'-P-C4' energy: -65.331 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -86.527 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: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1052.215286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.215286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.215286 (E_RNA) where: Base-Base interactions energy: -752.038 where: short stacking energy: -305.750 Base-Backbone interact. energy: -0.745 local terms energy: -299.432042 where: bonds (distance) C4'-P energy: -64.947 bonds (distance) P-C4' energy: -53.276 flat angles C4'-P-C4' energy: -58.584 flat angles P-C4'-P energy: -37.372 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: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1005.281992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.281992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.281992 (E_RNA) where: Base-Base interactions energy: -712.662 where: short stacking energy: -289.606 Base-Backbone interact. energy: -0.016 local terms energy: -292.604031 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -63.432 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -80.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -971.340876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.340876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.340876 (E_RNA) where: Base-Base interactions energy: -672.983 where: short stacking energy: -272.230 Base-Backbone interact. energy: -0.491 local terms energy: -297.866259 where: bonds (distance) C4'-P energy: -62.758 bonds (distance) P-C4' energy: -58.643 flat angles C4'-P-C4' energy: -60.114 flat angles P-C4'-P energy: -35.345 tors. eta vs tors. theta energy: -81.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -910.149919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.149919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.149919 (E_RNA) where: Base-Base interactions energy: -645.623 where: short stacking energy: -273.315 Base-Backbone interact. energy: -1.112 local terms energy: -263.415328 where: bonds (distance) C4'-P energy: -49.518 bonds (distance) P-C4' energy: -51.417 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -26.308 tors. eta vs tors. theta energy: -71.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -789.831356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.831356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.831356 (E_RNA) where: Base-Base interactions energy: -535.717 where: short stacking energy: -229.102 Base-Backbone interact. energy: -1.411 local terms energy: -252.702876 where: bonds (distance) C4'-P energy: -43.691 bonds (distance) P-C4' energy: -55.407 flat angles C4'-P-C4' energy: -50.155 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -61.199 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: 461 Temperature: 1.200000 Total energy: -798.164197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.164197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.164197 (E_RNA) where: Base-Base interactions energy: -555.759 where: short stacking energy: -238.297 Base-Backbone interact. energy: 1.865 local terms energy: -244.270433 where: bonds (distance) C4'-P energy: -51.320 bonds (distance) P-C4' energy: -55.449 flat angles C4'-P-C4' energy: -53.131 flat angles P-C4'-P energy: -33.905 tors. eta vs tors. theta energy: -50.465 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: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -706.176596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.176596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.176596 (E_RNA) where: Base-Base interactions energy: -480.756 where: short stacking energy: -196.612 Base-Backbone interact. energy: 7.464 local terms energy: -232.884013 where: bonds (distance) C4'-P energy: -45.742 bonds (distance) P-C4' energy: -53.020 flat angles C4'-P-C4' energy: -48.362 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -48.104 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: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -494.341461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.341461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.341461 (E_RNA) where: Base-Base interactions energy: -312.980 where: short stacking energy: -152.862 Base-Backbone interact. energy: -0.865 local terms energy: -180.496497 where: bonds (distance) C4'-P energy: -32.918 bonds (distance) P-C4' energy: -47.291 flat angles C4'-P-C4' energy: -53.957 flat angles P-C4'-P energy: -21.549 tors. eta vs tors. theta energy: -24.780 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: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -250.114286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.114286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.114286 (E_RNA) where: Base-Base interactions energy: -77.492 where: short stacking energy: -73.375 Base-Backbone interact. energy: -0.761 local terms energy: -171.861933 where: bonds (distance) C4'-P energy: -51.498 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -40.662 flat angles P-C4'-P energy: -19.748 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1070.413675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.413675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.413675 (E_RNA) where: Base-Base interactions energy: -751.118 where: short stacking energy: -306.803 Base-Backbone interact. energy: -0.368 local terms energy: -318.927511 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -65.474 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -88.549 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: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1031.590660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.590660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.590660 (E_RNA) where: Base-Base interactions energy: -719.050 where: short stacking energy: -293.108 Base-Backbone interact. energy: -0.415 local terms energy: -312.125897 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -53.464 flat angles C4'-P-C4' energy: -67.966 flat angles P-C4'-P energy: -49.653 tors. eta vs tors. theta energy: -80.498 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: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -999.309334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.309334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.309334 (E_RNA) where: Base-Base interactions energy: -720.180 where: short stacking energy: -273.610 Base-Backbone interact. energy: 1.494 local terms energy: -280.623622 where: bonds (distance) C4'-P energy: -60.625 bonds (distance) P-C4' energy: -57.483 flat angles C4'-P-C4' energy: -54.755 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: -72.018 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: 462 Temperature: 1.050000 Total energy: -948.991031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.991031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.991031 (E_RNA) where: Base-Base interactions energy: -664.870 where: short stacking energy: -284.762 Base-Backbone interact. energy: -0.881 local terms energy: -283.239880 where: bonds (distance) C4'-P energy: -49.551 bonds (distance) P-C4' energy: -54.658 flat angles C4'-P-C4' energy: -57.251 flat angles P-C4'-P energy: -40.710 tors. eta vs tors. theta energy: -81.069 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -913.628684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.628684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.628684 (E_RNA) where: Base-Base interactions energy: -650.704 where: short stacking energy: -291.412 Base-Backbone interact. energy: -1.838 local terms energy: -261.086970 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -43.723 flat angles C4'-P-C4' energy: -56.570 flat angles P-C4'-P energy: -32.242 tors. eta vs tors. theta energy: -76.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -776.810826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.810826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.810826 (E_RNA) where: Base-Base interactions energy: -536.918 where: short stacking energy: -237.892 Base-Backbone interact. energy: -1.283 local terms energy: -238.609417 where: bonds (distance) C4'-P energy: -37.506 bonds (distance) P-C4' energy: -47.430 flat angles C4'-P-C4' energy: -51.659 flat angles P-C4'-P energy: -40.143 tors. eta vs tors. theta energy: -61.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -814.470275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.470275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.470275 (E_RNA) where: Base-Base interactions energy: -564.621 where: short stacking energy: -240.804 Base-Backbone interact. energy: -0.569 local terms energy: -249.279470 where: bonds (distance) C4'-P energy: -40.274 bonds (distance) P-C4' energy: -46.476 flat angles C4'-P-C4' energy: -60.123 flat angles P-C4'-P energy: -39.078 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: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -721.398093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.398093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.398093 (E_RNA) where: Base-Base interactions energy: -495.094 where: short stacking energy: -214.266 Base-Backbone interact. energy: 0.939 local terms energy: -227.243328 where: bonds (distance) C4'-P energy: -48.304 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -48.608 flat angles P-C4'-P energy: -26.448 tors. eta vs tors. theta energy: -52.111 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: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -467.080888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.080888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.080888 (E_RNA) where: Base-Base interactions energy: -279.544 where: short stacking energy: -134.282 Base-Backbone interact. energy: -1.423 local terms energy: -186.114111 where: bonds (distance) C4'-P energy: -43.302 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -45.729 flat angles P-C4'-P energy: -24.695 tors. eta vs tors. theta energy: -12.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -253.377270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.377270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.377270 (E_RNA) where: Base-Base interactions energy: -85.233 where: short stacking energy: -76.757 Base-Backbone interact. energy: -1.535 local terms energy: -166.609673 where: bonds (distance) C4'-P energy: -42.622 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -37.858 flat angles P-C4'-P energy: -24.102 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1081.644048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.644048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.644048 (E_RNA) where: Base-Base interactions energy: -769.134 where: short stacking energy: -312.621 Base-Backbone interact. energy: -1.027 local terms energy: -311.483059 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -55.370 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -84.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1030.466182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.466182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.466182 (E_RNA) where: Base-Base interactions energy: -728.809 where: short stacking energy: -294.164 Base-Backbone interact. energy: 2.256 local terms energy: -303.913365 where: bonds (distance) C4'-P energy: -57.814 bonds (distance) P-C4' energy: -61.082 flat angles C4'-P-C4' energy: -62.790 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -75.628 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: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1004.980952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.980952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.980952 (E_RNA) where: Base-Base interactions energy: -720.883 where: short stacking energy: -274.426 Base-Backbone interact. energy: -1.264 local terms energy: -282.834013 where: bonds (distance) C4'-P energy: -52.902 bonds (distance) P-C4' energy: -48.759 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: -77.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -939.477902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.477902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.477902 (E_RNA) where: Base-Base interactions energy: -661.549 where: short stacking energy: -273.274 Base-Backbone interact. energy: -1.630 local terms energy: -276.299476 where: bonds (distance) C4'-P energy: -57.198 bonds (distance) P-C4' energy: -49.497 flat angles C4'-P-C4' energy: -48.899 flat angles P-C4'-P energy: -36.290 tors. eta vs tors. theta energy: -84.415 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: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -911.234851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.234851 (E_RNA) where: Base-Base interactions energy: -644.488 where: short stacking energy: -265.922 Base-Backbone interact. energy: 1.543 local terms energy: -268.289597 where: bonds (distance) C4'-P energy: -45.533 bonds (distance) P-C4' energy: -50.738 flat angles C4'-P-C4' energy: -56.780 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -67.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -803.027597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.027597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.027597 (E_RNA) where: Base-Base interactions energy: -546.738 where: short stacking energy: -253.770 Base-Backbone interact. energy: 0.370 local terms energy: -256.659605 where: bonds (distance) C4'-P energy: -46.257 bonds (distance) P-C4' energy: -55.929 flat angles C4'-P-C4' energy: -54.351 flat angles P-C4'-P energy: -37.238 tors. eta vs tors. theta energy: -62.885 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: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -827.588134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.588134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.588134 (E_RNA) where: Base-Base interactions energy: -576.629 where: short stacking energy: -252.390 Base-Backbone interact. energy: -1.188 local terms energy: -249.771278 where: bonds (distance) C4'-P energy: -49.846 bonds (distance) P-C4' energy: -53.720 flat angles C4'-P-C4' energy: -52.958 flat angles P-C4'-P energy: -29.868 tors. eta vs tors. theta energy: -63.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -685.996977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.996977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.996977 (E_RNA) where: Base-Base interactions energy: -460.443 where: short stacking energy: -191.206 Base-Backbone interact. energy: -0.106 local terms energy: -225.447894 where: bonds (distance) C4'-P energy: -48.256 bonds (distance) P-C4' energy: -47.107 flat angles C4'-P-C4' energy: -58.576 flat angles P-C4'-P energy: -33.133 tors. eta vs tors. theta energy: -38.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -502.224786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.224786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.224786 (E_RNA) where: Base-Base interactions energy: -294.856 where: short stacking energy: -143.537 Base-Backbone interact. energy: -1.413 local terms energy: -205.955236 where: bonds (distance) C4'-P energy: -42.833 bonds (distance) P-C4' energy: -55.902 flat angles C4'-P-C4' energy: -47.034 flat angles P-C4'-P energy: -39.628 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -238.732470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.732470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.732470 (E_RNA) where: Base-Base interactions energy: -104.087 where: short stacking energy: -75.626 Base-Backbone interact. energy: -3.245 local terms energy: -131.401129 where: bonds (distance) C4'-P energy: -34.960 bonds (distance) P-C4' energy: -41.170 flat angles C4'-P-C4' energy: -47.669 flat angles P-C4'-P energy: -19.024 tors. eta vs tors. theta energy: 11.422 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: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1079.035852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.035852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.035852 (E_RNA) where: Base-Base interactions energy: -764.734 where: short stacking energy: -305.460 Base-Backbone interact. energy: -2.165 local terms energy: -312.137211 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -55.743 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -90.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1037.385575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.385575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.385575 (E_RNA) where: Base-Base interactions energy: -740.772 where: short stacking energy: -300.933 Base-Backbone interact. energy: -1.134 local terms energy: -295.479539 where: bonds (distance) C4'-P energy: -50.376 bonds (distance) P-C4' energy: -54.116 flat angles C4'-P-C4' energy: -61.573 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -83.315 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: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1018.115780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.115780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.115780 (E_RNA) where: Base-Base interactions energy: -734.325 where: short stacking energy: -293.571 Base-Backbone interact. energy: -2.482 local terms energy: -281.308280 where: bonds (distance) C4'-P energy: -54.944 bonds (distance) P-C4' energy: -49.459 flat angles C4'-P-C4' energy: -57.796 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: -79.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -957.781709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.781709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.781709 (E_RNA) where: Base-Base interactions energy: -667.715 where: short stacking energy: -300.625 Base-Backbone interact. energy: -1.468 local terms energy: -288.598863 where: bonds (distance) C4'-P energy: -53.843 bonds (distance) P-C4' energy: -50.352 flat angles C4'-P-C4' energy: -56.094 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -89.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -909.690158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.690158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.690158 (E_RNA) where: Base-Base interactions energy: -645.826 where: short stacking energy: -274.768 Base-Backbone interact. energy: -0.937 local terms energy: -262.927864 where: bonds (distance) C4'-P energy: -31.691 bonds (distance) P-C4' energy: -44.335 flat angles C4'-P-C4' energy: -60.501 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -80.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -793.608930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.608930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.608930 (E_RNA) where: Base-Base interactions energy: -526.495 where: short stacking energy: -229.837 Base-Backbone interact. energy: -1.108 local terms energy: -266.005051 where: bonds (distance) C4'-P energy: -49.977 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -57.391 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -60.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -807.899306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.899306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.899306 (E_RNA) where: Base-Base interactions energy: -563.984 where: short stacking energy: -233.588 Base-Backbone interact. energy: 1.190 local terms energy: -245.104974 where: bonds (distance) C4'-P energy: -44.266 bonds (distance) P-C4' energy: -47.144 flat angles C4'-P-C4' energy: -55.193 flat angles P-C4'-P energy: -42.083 tors. eta vs tors. theta energy: -56.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -718.593577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.593577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.593577 (E_RNA) where: Base-Base interactions energy: -486.795 where: short stacking energy: -218.772 Base-Backbone interact. energy: -0.594 local terms energy: -231.204514 where: bonds (distance) C4'-P energy: -51.599 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -51.321 flat angles P-C4'-P energy: -19.072 tors. eta vs tors. theta energy: -53.459 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: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -493.902811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.902811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.902811 (E_RNA) where: Base-Base interactions energy: -316.839 where: short stacking energy: -143.651 Base-Backbone interact. energy: -0.187 local terms energy: -176.876704 where: bonds (distance) C4'-P energy: -45.852 bonds (distance) P-C4' energy: -35.076 flat angles C4'-P-C4' energy: -41.456 flat angles P-C4'-P energy: -20.092 tors. eta vs tors. theta energy: -34.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -257.461112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.461112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.461112 (E_RNA) where: Base-Base interactions energy: -90.467 where: short stacking energy: -77.067 Base-Backbone interact. energy: 2.776 local terms energy: -169.770855 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -50.234 flat angles C4'-P-C4' energy: -47.464 flat angles P-C4'-P energy: -18.751 tors. eta vs tors. theta energy: 2.756 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: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1081.123704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.123704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.123704 (E_RNA) where: Base-Base interactions energy: -768.584 where: short stacking energy: -313.032 Base-Backbone interact. energy: -0.270 local terms energy: -312.269603 where: bonds (distance) C4'-P energy: -59.885 bonds (distance) P-C4' energy: -60.227 flat angles C4'-P-C4' energy: -63.824 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -85.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1029.262168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.262168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.262168 (E_RNA) where: Base-Base interactions energy: -737.527 where: short stacking energy: -298.325 Base-Backbone interact. energy: -0.574 local terms energy: -291.160658 where: bonds (distance) C4'-P energy: -51.460 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -55.523 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -84.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1021.815733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.815733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.815733 (E_RNA) where: Base-Base interactions energy: -734.642 where: short stacking energy: -290.910 Base-Backbone interact. energy: -0.545 local terms energy: -286.629420 where: bonds (distance) C4'-P energy: -56.145 bonds (distance) P-C4' energy: -49.555 flat angles C4'-P-C4' energy: -60.826 flat angles P-C4'-P energy: -34.300 tors. eta vs tors. theta energy: -85.803 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: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -948.510932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.510932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.510932 (E_RNA) where: Base-Base interactions energy: -657.749 where: short stacking energy: -278.485 Base-Backbone interact. energy: -0.889 local terms energy: -289.872549 where: bonds (distance) C4'-P energy: -53.421 bonds (distance) P-C4' energy: -49.609 flat angles C4'-P-C4' energy: -65.344 flat angles P-C4'-P energy: -42.993 tors. eta vs tors. theta energy: -78.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -916.708341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.708341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.708341 (E_RNA) where: Base-Base interactions energy: -651.086 where: short stacking energy: -275.992 Base-Backbone interact. energy: -1.173 local terms energy: -264.449032 where: bonds (distance) C4'-P energy: -49.438 bonds (distance) P-C4' energy: -33.987 flat angles C4'-P-C4' energy: -59.262 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -82.600 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: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -848.085165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.085165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.085165 (E_RNA) where: Base-Base interactions energy: -580.149 where: short stacking energy: -246.883 Base-Backbone interact. energy: -0.352 local terms energy: -267.584454 where: bonds (distance) C4'-P energy: -50.522 bonds (distance) P-C4' energy: -48.016 flat angles C4'-P-C4' energy: -53.303 flat angles P-C4'-P energy: -37.457 tors. eta vs tors. theta energy: -78.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -730.127703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.127703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.127703 (E_RNA) where: Base-Base interactions energy: -490.706 where: short stacking energy: -221.230 Base-Backbone interact. energy: -0.684 local terms energy: -238.737616 where: bonds (distance) C4'-P energy: -45.723 bonds (distance) P-C4' energy: -52.398 flat angles C4'-P-C4' energy: -57.843 flat angles P-C4'-P energy: -28.287 tors. eta vs tors. theta energy: -54.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -747.668761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.668761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.668761 (E_RNA) where: Base-Base interactions energy: -500.825 where: short stacking energy: -214.680 Base-Backbone interact. energy: 0.138 local terms energy: -246.982001 where: bonds (distance) C4'-P energy: -52.915 bonds (distance) P-C4' energy: -50.536 flat angles C4'-P-C4' energy: -53.058 flat angles P-C4'-P energy: -34.359 tors. eta vs tors. theta energy: -56.114 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: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -472.338899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.338899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.338899 (E_RNA) where: Base-Base interactions energy: -290.126 where: short stacking energy: -151.475 Base-Backbone interact. energy: 7.248 local terms energy: -189.461445 where: bonds (distance) C4'-P energy: -42.199 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -44.644 flat angles P-C4'-P energy: -31.831 tors. eta vs tors. theta energy: -17.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -263.320664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.320664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.320664 (E_RNA) where: Base-Base interactions energy: -104.931 where: short stacking energy: -95.065 Base-Backbone interact. energy: 0.779 local terms energy: -159.168284 where: bonds (distance) C4'-P energy: -49.024 bonds (distance) P-C4' energy: -39.634 flat angles C4'-P-C4' energy: -35.748 flat angles P-C4'-P energy: -30.429 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1042.382167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.382167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.382167 (E_RNA) where: Base-Base interactions energy: -723.827 where: short stacking energy: -292.258 Base-Backbone interact. energy: -1.229 local terms energy: -317.326293 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -63.613 flat angles C4'-P-C4' energy: -67.118 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -83.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1062.898816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.898816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.898816 (E_RNA) where: Base-Base interactions energy: -752.114 where: short stacking energy: -311.890 Base-Backbone interact. energy: 0.439 local terms energy: -311.223823 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -56.231 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -44.813 tors. eta vs tors. theta energy: -87.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1017.764208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.764208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.764208 (E_RNA) where: Base-Base interactions energy: -719.536 where: short stacking energy: -296.556 Base-Backbone interact. energy: -1.580 local terms energy: -296.648724 where: bonds (distance) C4'-P energy: -55.596 bonds (distance) P-C4' energy: -55.491 flat angles C4'-P-C4' energy: -53.646 flat angles P-C4'-P energy: -51.034 tors. eta vs tors. theta energy: -80.882 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: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -937.398374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.398374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.398374 (E_RNA) where: Base-Base interactions energy: -654.636 where: short stacking energy: -271.329 Base-Backbone interact. energy: 1.607 local terms energy: -284.368780 where: bonds (distance) C4'-P energy: -46.780 bonds (distance) P-C4' energy: -53.720 flat angles C4'-P-C4' energy: -60.715 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -72.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -939.018791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.018791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.018791 (E_RNA) where: Base-Base interactions energy: -669.836 where: short stacking energy: -272.910 Base-Backbone interact. energy: -0.706 local terms energy: -268.476930 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -54.251 flat angles C4'-P-C4' energy: -55.480 flat angles P-C4'-P energy: -29.968 tors. eta vs tors. theta energy: -76.753 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: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -841.641050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.641050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.641050 (E_RNA) where: Base-Base interactions energy: -587.608 where: short stacking energy: -241.898 Base-Backbone interact. energy: -0.363 local terms energy: -253.669584 where: bonds (distance) C4'-P energy: -45.435 bonds (distance) P-C4' energy: -50.631 flat angles C4'-P-C4' energy: -52.994 flat angles P-C4'-P energy: -39.368 tors. eta vs tors. theta energy: -65.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -757.162135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.162135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.162135 (E_RNA) where: Base-Base interactions energy: -514.891 where: short stacking energy: -232.033 Base-Backbone interact. energy: 0.119 local terms energy: -242.389319 where: bonds (distance) C4'-P energy: -41.505 bonds (distance) P-C4' energy: -50.983 flat angles C4'-P-C4' energy: -55.117 flat angles P-C4'-P energy: -33.840 tors. eta vs tors. theta energy: -60.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -695.434374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.434374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.434374 (E_RNA) where: Base-Base interactions energy: -468.165 where: short stacking energy: -205.463 Base-Backbone interact. energy: -0.948 local terms energy: -226.321654 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -47.083 flat angles C4'-P-C4' energy: -43.829 flat angles P-C4'-P energy: -36.209 tors. eta vs tors. theta energy: -45.283 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: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -468.740747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.740747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.740747 (E_RNA) where: Base-Base interactions energy: -272.933 where: short stacking energy: -128.521 Base-Backbone interact. energy: -0.461 local terms energy: -195.346853 where: bonds (distance) C4'-P energy: -48.634 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -39.057 flat angles P-C4'-P energy: -25.615 tors. eta vs tors. theta energy: -23.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -246.673673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.673673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.673673 (E_RNA) where: Base-Base interactions energy: -105.314 where: short stacking energy: -76.359 Base-Backbone interact. energy: 4.423 local terms energy: -145.782426 where: bonds (distance) C4'-P energy: -42.825 bonds (distance) P-C4' energy: -56.052 flat angles C4'-P-C4' energy: -30.984 flat angles P-C4'-P energy: -32.318 tors. eta vs tors. theta energy: 16.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1063.966026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.966026 (E_RNA) where: Base-Base interactions energy: -745.339 where: short stacking energy: -304.891 Base-Backbone interact. energy: -0.088 local terms energy: -318.539417 where: bonds (distance) C4'-P energy: -53.856 bonds (distance) P-C4' energy: -60.932 flat angles C4'-P-C4' energy: -68.365 flat angles P-C4'-P energy: -41.771 tors. eta vs tors. theta energy: -93.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1063.137553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.137553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.137553 (E_RNA) where: Base-Base interactions energy: -756.477 where: short stacking energy: -309.438 Base-Backbone interact. energy: 4.305 local terms energy: -310.965823 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -68.389 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: -86.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1016.826008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.826008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.826008 (E_RNA) where: Base-Base interactions energy: -731.993 where: short stacking energy: -298.017 Base-Backbone interact. energy: 1.256 local terms energy: -286.089432 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -52.357 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -26.993 tors. eta vs tors. theta energy: -85.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -953.053504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.053504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.053504 (E_RNA) where: Base-Base interactions energy: -675.080 where: short stacking energy: -289.877 Base-Backbone interact. energy: 1.319 local terms energy: -279.292701 where: bonds (distance) C4'-P energy: -52.363 bonds (distance) P-C4' energy: -38.682 flat angles C4'-P-C4' energy: -59.890 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -86.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -945.331096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.331096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.331096 (E_RNA) where: Base-Base interactions energy: -661.741 where: short stacking energy: -283.473 Base-Backbone interact. energy: -0.737 local terms energy: -282.853492 where: bonds (distance) C4'-P energy: -49.084 bonds (distance) P-C4' energy: -57.018 flat angles C4'-P-C4' energy: -61.533 flat angles P-C4'-P energy: -39.362 tors. eta vs tors. theta energy: -75.857 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: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -864.626747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.626747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.626747 (E_RNA) where: Base-Base interactions energy: -600.281 where: short stacking energy: -249.694 Base-Backbone interact. energy: 1.387 local terms energy: -265.733182 where: bonds (distance) C4'-P energy: -48.513 bonds (distance) P-C4' energy: -54.384 flat angles C4'-P-C4' energy: -59.301 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -64.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -775.758311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.758311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.758311 (E_RNA) where: Base-Base interactions energy: -529.862 where: short stacking energy: -236.191 Base-Backbone interact. energy: 0.494 local terms energy: -246.389683 where: bonds (distance) C4'-P energy: -41.855 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -48.874 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -60.109 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: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -648.398404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.398404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.398404 (E_RNA) where: Base-Base interactions energy: -445.472 where: short stacking energy: -194.357 Base-Backbone interact. energy: -1.630 local terms energy: -201.296663 where: bonds (distance) C4'-P energy: -47.533 bonds (distance) P-C4' energy: -51.541 flat angles C4'-P-C4' energy: -38.462 flat angles P-C4'-P energy: -22.063 tors. eta vs tors. theta energy: -41.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -452.315508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.315508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.315508 (E_RNA) where: Base-Base interactions energy: -269.580 where: short stacking energy: -116.828 Base-Backbone interact. energy: -1.256 local terms energy: -181.478739 where: bonds (distance) C4'-P energy: -37.318 bonds (distance) P-C4' energy: -43.141 flat angles C4'-P-C4' energy: -58.399 flat angles P-C4'-P energy: -28.016 tors. eta vs tors. theta energy: -14.605 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: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -259.397363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.397363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.397363 (E_RNA) where: Base-Base interactions energy: -129.617 where: short stacking energy: -87.664 Base-Backbone interact. energy: -0.739 local terms energy: -129.041642 where: bonds (distance) C4'-P energy: -30.343 bonds (distance) P-C4' energy: -34.751 flat angles C4'-P-C4' energy: -44.755 flat angles P-C4'-P energy: -20.284 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1067.480436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.480436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.480436 (E_RNA) where: Base-Base interactions energy: -751.615 where: short stacking energy: -317.266 Base-Backbone interact. energy: -0.955 local terms energy: -314.911036 where: bonds (distance) C4'-P energy: -58.545 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -65.164 flat angles P-C4'-P energy: -40.182 tors. eta vs tors. theta energy: -89.284 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: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1041.689459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.689459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.689459 (E_RNA) where: Base-Base interactions energy: -732.823 where: short stacking energy: -288.692 Base-Backbone interact. energy: -0.833 local terms energy: -308.032879 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -58.999 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -78.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1009.885161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.885161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.885161 (E_RNA) where: Base-Base interactions energy: -714.775 where: short stacking energy: -286.213 Base-Backbone interact. energy: 0.276 local terms energy: -295.385752 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -56.713 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -41.229 tors. eta vs tors. theta energy: -77.915 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: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -958.043322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.043322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.043322 (E_RNA) where: Base-Base interactions energy: -659.180 where: short stacking energy: -274.040 Base-Backbone interact. energy: -1.026 local terms energy: -297.837578 where: bonds (distance) C4'-P energy: -45.964 bonds (distance) P-C4' energy: -55.922 flat angles C4'-P-C4' energy: -64.997 flat angles P-C4'-P energy: -44.346 tors. eta vs tors. theta energy: -86.609 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: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -966.432574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.432574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.432574 (E_RNA) where: Base-Base interactions energy: -685.000 where: short stacking energy: -262.644 Base-Backbone interact. energy: -0.563 local terms energy: -280.870235 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -43.879 flat angles C4'-P-C4' energy: -67.371 flat angles P-C4'-P energy: -41.779 tors. eta vs tors. theta energy: -74.985 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: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -853.525386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.525386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.525386 (E_RNA) where: Base-Base interactions energy: -586.130 where: short stacking energy: -259.417 Base-Backbone interact. energy: -0.637 local terms energy: -266.758766 where: bonds (distance) C4'-P energy: -53.076 bonds (distance) P-C4' energy: -49.133 flat angles C4'-P-C4' energy: -66.965 flat angles P-C4'-P energy: -35.647 tors. eta vs tors. theta energy: -61.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -768.644033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.644033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.644033 (E_RNA) where: Base-Base interactions energy: -514.730 where: short stacking energy: -237.895 Base-Backbone interact. energy: -0.785 local terms energy: -253.129751 where: bonds (distance) C4'-P energy: -45.078 bonds (distance) P-C4' energy: -47.707 flat angles C4'-P-C4' energy: -56.423 flat angles P-C4'-P energy: -36.457 tors. eta vs tors. theta energy: -67.465 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: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -630.960393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.960393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.960393 (E_RNA) where: Base-Base interactions energy: -414.150 where: short stacking energy: -185.930 Base-Backbone interact. energy: -0.339 local terms energy: -216.471457 where: bonds (distance) C4'-P energy: -50.502 bonds (distance) P-C4' energy: -51.206 flat angles C4'-P-C4' energy: -43.657 flat angles P-C4'-P energy: -32.263 tors. eta vs tors. theta energy: -38.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -458.838300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.838300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.838300 (E_RNA) where: Base-Base interactions energy: -255.279 where: short stacking energy: -140.543 Base-Backbone interact. energy: 2.567 local terms energy: -206.126542 where: bonds (distance) C4'-P energy: -48.873 bonds (distance) P-C4' energy: -52.007 flat angles C4'-P-C4' energy: -47.097 flat angles P-C4'-P energy: -28.442 tors. eta vs tors. theta energy: -29.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -252.027716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.027716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.027716 (E_RNA) where: Base-Base interactions energy: -95.925 where: short stacking energy: -93.911 Base-Backbone interact. energy: 0.221 local terms energy: -156.323675 where: bonds (distance) C4'-P energy: -44.655 bonds (distance) P-C4' energy: -40.463 flat angles C4'-P-C4' energy: -40.482 flat angles P-C4'-P energy: -30.693 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1055.096152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.096152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.096152 (E_RNA) where: Base-Base interactions energy: -734.826 where: short stacking energy: -302.259 Base-Backbone interact. energy: -0.826 local terms energy: -319.443795 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -64.854 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -88.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1032.088035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.088035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.088035 (E_RNA) where: Base-Base interactions energy: -727.761 where: short stacking energy: -290.981 Base-Backbone interact. energy: -0.820 local terms energy: -303.506138 where: bonds (distance) C4'-P energy: -54.406 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -61.428 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -81.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1017.714221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.714221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.714221 (E_RNA) where: Base-Base interactions energy: -726.763 where: short stacking energy: -274.894 Base-Backbone interact. energy: -0.963 local terms energy: -289.988218 where: bonds (distance) C4'-P energy: -54.797 bonds (distance) P-C4' energy: -58.719 flat angles C4'-P-C4' energy: -56.350 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -80.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -987.796950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.796950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.796950 (E_RNA) where: Base-Base interactions energy: -694.869 where: short stacking energy: -287.730 Base-Backbone interact. energy: -0.353 local terms energy: -292.574483 where: bonds (distance) C4'-P energy: -55.171 bonds (distance) P-C4' energy: -51.244 flat angles C4'-P-C4' energy: -59.483 flat angles P-C4'-P energy: -45.699 tors. eta vs tors. theta energy: -80.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -910.147755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.147755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.147755 (E_RNA) where: Base-Base interactions energy: -627.231 where: short stacking energy: -263.627 Base-Backbone interact. energy: -1.533 local terms energy: -281.383024 where: bonds (distance) C4'-P energy: -55.179 bonds (distance) P-C4' energy: -50.621 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -41.806 tors. eta vs tors. theta energy: -72.302 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: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -849.850969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.850969 (E_RNA) where: Base-Base interactions energy: -590.979 where: short stacking energy: -249.047 Base-Backbone interact. energy: -0.636 local terms energy: -258.236310 where: bonds (distance) C4'-P energy: -46.802 bonds (distance) P-C4' energy: -45.103 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -63.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -748.218782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.218782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.218782 (E_RNA) where: Base-Base interactions energy: -490.808 where: short stacking energy: -216.256 Base-Backbone interact. energy: -0.300 local terms energy: -257.110884 where: bonds (distance) C4'-P energy: -56.047 bonds (distance) P-C4' energy: -50.250 flat angles C4'-P-C4' energy: -58.168 flat angles P-C4'-P energy: -34.758 tors. eta vs tors. theta energy: -57.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -668.058586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.058586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.058586 (E_RNA) where: Base-Base interactions energy: -449.454 where: short stacking energy: -194.399 Base-Backbone interact. energy: -0.065 local terms energy: -218.539958 where: bonds (distance) C4'-P energy: -48.729 bonds (distance) P-C4' energy: -46.873 flat angles C4'-P-C4' energy: -50.036 flat angles P-C4'-P energy: -29.990 tors. eta vs tors. theta energy: -42.912 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: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -484.817759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.817759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.817759 (E_RNA) where: Base-Base interactions energy: -297.590 where: short stacking energy: -138.334 Base-Backbone interact. energy: -0.496 local terms energy: -186.731114 where: bonds (distance) C4'-P energy: -47.250 bonds (distance) P-C4' energy: -51.660 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -26.301 tors. eta vs tors. theta energy: -12.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -257.023184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.023184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.023184 (E_RNA) where: Base-Base interactions energy: -108.901 where: short stacking energy: -80.837 Base-Backbone interact. energy: -2.012 local terms energy: -146.110596 where: bonds (distance) C4'-P energy: -36.498 bonds (distance) P-C4' energy: -44.023 flat angles C4'-P-C4' energy: -43.606 flat angles P-C4'-P energy: -22.156 tors. eta vs tors. theta energy: 0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1075.018922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.018922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.018922 (E_RNA) where: Base-Base interactions energy: -766.625 where: short stacking energy: -312.738 Base-Backbone interact. energy: -1.006 local terms energy: -307.388436 where: bonds (distance) C4'-P energy: -54.295 bonds (distance) P-C4' energy: -51.320 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -84.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1048.711830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.711830 (E_RNA) where: Base-Base interactions energy: -743.898 where: short stacking energy: -296.404 Base-Backbone interact. energy: -1.455 local terms energy: -303.358369 where: bonds (distance) C4'-P energy: -57.688 bonds (distance) P-C4' energy: -55.320 flat angles C4'-P-C4' energy: -60.458 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -82.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -979.521306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.521306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.521306 (E_RNA) where: Base-Base interactions energy: -686.773 where: short stacking energy: -281.069 Base-Backbone interact. energy: -0.066 local terms energy: -292.682335 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -47.670 flat angles C4'-P-C4' energy: -56.543 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: -79.910 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: 4 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1000.781759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.781759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.781759 (E_RNA) where: Base-Base interactions energy: -710.725 where: short stacking energy: -281.124 Base-Backbone interact. energy: -1.111 local terms energy: -288.945858 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -60.131 flat angles C4'-P-C4' energy: -54.454 flat angles P-C4'-P energy: -36.684 tors. eta vs tors. theta energy: -83.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -860.349844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.349844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.349844 (E_RNA) where: Base-Base interactions energy: -587.307 where: short stacking energy: -255.493 Base-Backbone interact. energy: 2.316 local terms energy: -275.359551 where: bonds (distance) C4'-P energy: -58.333 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -46.497 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -62.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -886.986559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.986559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.986559 (E_RNA) where: Base-Base interactions energy: -618.685 where: short stacking energy: -239.644 Base-Backbone interact. energy: -2.649 local terms energy: -265.653095 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -58.529 flat angles P-C4'-P energy: -31.660 tors. eta vs tors. theta energy: -74.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -747.828493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.828493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.828493 (E_RNA) where: Base-Base interactions energy: -494.955 where: short stacking energy: -224.272 Base-Backbone interact. energy: -0.977 local terms energy: -251.896375 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -51.472 flat angles C4'-P-C4' energy: -43.460 flat angles P-C4'-P energy: -41.008 tors. eta vs tors. theta energy: -57.231 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: 470 Temperature: 1.250000 Total energy: -675.770609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.770609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.770609 (E_RNA) where: Base-Base interactions energy: -457.239 where: short stacking energy: -184.671 Base-Backbone interact. energy: -2.423 local terms energy: -216.108690 where: bonds (distance) C4'-P energy: -40.953 bonds (distance) P-C4' energy: -52.185 flat angles C4'-P-C4' energy: -51.096 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: -41.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -483.337548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.337548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.337548 (E_RNA) where: Base-Base interactions energy: -310.949 where: short stacking energy: -132.607 Base-Backbone interact. energy: 1.461 local terms energy: -173.848885 where: bonds (distance) C4'-P energy: -51.245 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -45.454 flat angles P-C4'-P energy: -19.650 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -274.540973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.540973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.540973 (E_RNA) where: Base-Base interactions energy: -108.685 where: short stacking energy: -89.855 Base-Backbone interact. energy: 0.530 local terms energy: -166.386178 where: bonds (distance) C4'-P energy: -40.524 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -49.655 flat angles P-C4'-P energy: -21.611 tors. eta vs tors. theta energy: 6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1051.698481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.698481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.698481 (E_RNA) where: Base-Base interactions energy: -760.149 where: short stacking energy: -308.188 Base-Backbone interact. energy: -1.034 local terms energy: -290.515321 where: bonds (distance) C4'-P energy: -58.172 bonds (distance) P-C4' energy: -42.177 flat angles C4'-P-C4' energy: -64.479 flat angles P-C4'-P energy: -42.953 tors. eta vs tors. theta energy: -82.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1044.533877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.533877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.533877 (E_RNA) where: Base-Base interactions energy: -742.608 where: short stacking energy: -285.391 Base-Backbone interact. energy: -0.310 local terms energy: -301.615624 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -57.368 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -76.949 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: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -969.086025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.086025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.086025 (E_RNA) where: Base-Base interactions energy: -678.955 where: short stacking energy: -285.178 Base-Backbone interact. energy: 0.110 local terms energy: -290.241407 where: bonds (distance) C4'-P energy: -56.540 bonds (distance) P-C4' energy: -53.886 flat angles C4'-P-C4' energy: -61.699 flat angles P-C4'-P energy: -41.058 tors. eta vs tors. theta energy: -77.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -969.120579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.120579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.120579 (E_RNA) where: Base-Base interactions energy: -663.393 where: short stacking energy: -274.590 Base-Backbone interact. energy: 0.003 local terms energy: -305.730566 where: bonds (distance) C4'-P energy: -47.911 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -66.086 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -85.289 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -872.309337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.309337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.309337 (E_RNA) where: Base-Base interactions energy: -603.118 where: short stacking energy: -251.965 Base-Backbone interact. energy: -0.221 local terms energy: -268.970376 where: bonds (distance) C4'-P energy: -52.308 bonds (distance) P-C4' energy: -50.487 flat angles C4'-P-C4' energy: -60.270 flat angles P-C4'-P energy: -39.608 tors. eta vs tors. theta energy: -66.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -894.522305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.522305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.522305 (E_RNA) where: Base-Base interactions energy: -632.730 where: short stacking energy: -266.588 Base-Backbone interact. energy: -1.083 local terms energy: -260.709833 where: bonds (distance) C4'-P energy: -55.667 bonds (distance) P-C4' energy: -40.091 flat angles C4'-P-C4' energy: -58.741 flat angles P-C4'-P energy: -32.634 tors. eta vs tors. theta energy: -73.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -737.513668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.513668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.513668 (E_RNA) where: Base-Base interactions energy: -489.063 where: short stacking energy: -216.487 Base-Backbone interact. energy: 1.197 local terms energy: -249.647992 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -48.894 flat angles C4'-P-C4' energy: -55.480 flat angles P-C4'-P energy: -33.813 tors. eta vs tors. theta energy: -53.112 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: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -649.567001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.567001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.567001 (E_RNA) where: Base-Base interactions energy: -443.137 where: short stacking energy: -188.791 Base-Backbone interact. energy: -1.175 local terms energy: -205.254989 where: bonds (distance) C4'-P energy: -37.597 bonds (distance) P-C4' energy: -50.157 flat angles C4'-P-C4' energy: -49.752 flat angles P-C4'-P energy: -28.437 tors. eta vs tors. theta energy: -39.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -544.764653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.764653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.764653 (E_RNA) where: Base-Base interactions energy: -320.175 where: short stacking energy: -156.329 Base-Backbone interact. energy: -1.372 local terms energy: -223.218226 where: bonds (distance) C4'-P energy: -49.409 bonds (distance) P-C4' energy: -52.845 flat angles C4'-P-C4' energy: -49.440 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -34.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -282.178970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.178970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.178970 (E_RNA) where: Base-Base interactions energy: -137.122 where: short stacking energy: -93.137 Base-Backbone interact. energy: 0.828 local terms energy: -145.884980 where: bonds (distance) C4'-P energy: -46.477 bonds (distance) P-C4' energy: -42.465 flat angles C4'-P-C4' energy: -45.059 flat angles P-C4'-P energy: -15.116 tors. eta vs tors. theta energy: 3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1088.466996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.466996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.466996 (E_RNA) where: Base-Base interactions energy: -782.080 where: short stacking energy: -309.435 Base-Backbone interact. energy: -0.814 local terms energy: -305.572440 where: bonds (distance) C4'-P energy: -56.748 bonds (distance) P-C4' energy: -49.981 flat angles C4'-P-C4' energy: -64.131 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -91.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1020.134360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.134360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.134360 (E_RNA) where: Base-Base interactions energy: -721.160 where: short stacking energy: -284.024 Base-Backbone interact. energy: -0.615 local terms energy: -298.359085 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -62.899 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: -75.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1021.058421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.058421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.058421 (E_RNA) where: Base-Base interactions energy: -734.774 where: short stacking energy: -291.363 Base-Backbone interact. energy: 1.009 local terms energy: -287.292759 where: bonds (distance) C4'-P energy: -52.555 bonds (distance) P-C4' energy: -51.698 flat angles C4'-P-C4' energy: -64.002 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -75.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -930.393262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.393262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.393262 (E_RNA) where: Base-Base interactions energy: -660.583 where: short stacking energy: -260.019 Base-Backbone interact. energy: 1.715 local terms energy: -271.525400 where: bonds (distance) C4'-P energy: -44.667 bonds (distance) P-C4' energy: -49.702 flat angles C4'-P-C4' energy: -64.293 flat angles P-C4'-P energy: -42.614 tors. eta vs tors. theta energy: -70.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -921.292449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.292449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.292449 (E_RNA) where: Base-Base interactions energy: -645.013 where: short stacking energy: -282.247 Base-Backbone interact. energy: 0.053 local terms energy: -276.332617 where: bonds (distance) C4'-P energy: -60.033 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -56.175 flat angles P-C4'-P energy: -29.651 tors. eta vs tors. theta energy: -76.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -866.206376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.206376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.206376 (E_RNA) where: Base-Base interactions energy: -590.705 where: short stacking energy: -253.212 Base-Backbone interact. energy: -0.951 local terms energy: -274.550495 where: bonds (distance) C4'-P energy: -51.087 bonds (distance) P-C4' energy: -52.053 flat angles C4'-P-C4' energy: -58.745 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: -68.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -763.771141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.771141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.771141 (E_RNA) where: Base-Base interactions energy: -515.215 where: short stacking energy: -233.583 Base-Backbone interact. energy: -0.610 local terms energy: -247.945960 where: bonds (distance) C4'-P energy: -51.040 bonds (distance) P-C4' energy: -44.657 flat angles C4'-P-C4' energy: -62.037 flat angles P-C4'-P energy: -30.248 tors. eta vs tors. theta energy: -59.964 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: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -702.566661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.566661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.566661 (E_RNA) where: Base-Base interactions energy: -457.959 where: short stacking energy: -215.308 Base-Backbone interact. energy: -0.901 local terms energy: -243.706523 where: bonds (distance) C4'-P energy: -43.374 bonds (distance) P-C4' energy: -52.190 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: -57.487 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: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -498.195675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.195675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.195675 (E_RNA) where: Base-Base interactions energy: -307.667 where: short stacking energy: -140.594 Base-Backbone interact. energy: -1.451 local terms energy: -189.078016 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -49.041 flat angles C4'-P-C4' energy: -42.684 flat angles P-C4'-P energy: -25.193 tors. eta vs tors. theta energy: -25.071 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: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -248.157151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.157151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.157151 (E_RNA) where: Base-Base interactions energy: -93.829 where: short stacking energy: -78.201 Base-Backbone interact. energy: -2.153 local terms energy: -152.175242 where: bonds (distance) C4'-P energy: -41.356 bonds (distance) P-C4' energy: -43.006 flat angles C4'-P-C4' energy: -51.666 flat angles P-C4'-P energy: -25.530 tors. eta vs tors. theta energy: 9.383 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1086.470791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.470791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.470791 (E_RNA) where: Base-Base interactions energy: -766.044 where: short stacking energy: -306.220 Base-Backbone interact. energy: -0.677 local terms energy: -319.749850 where: bonds (distance) C4'-P energy: -64.584 bonds (distance) P-C4' energy: -55.722 flat angles C4'-P-C4' energy: -70.653 flat angles P-C4'-P energy: -44.330 tors. eta vs tors. theta energy: -84.461 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: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1030.085625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.085625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.085625 (E_RNA) where: Base-Base interactions energy: -739.485 where: short stacking energy: -303.760 Base-Backbone interact. energy: -2.749 local terms energy: -287.851099 where: bonds (distance) C4'-P energy: -44.380 bonds (distance) P-C4' energy: -56.594 flat angles C4'-P-C4' energy: -60.384 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -82.863 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: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1021.041701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.041701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.041701 (E_RNA) where: Base-Base interactions energy: -731.233 where: short stacking energy: -284.482 Base-Backbone interact. energy: -1.367 local terms energy: -288.441824 where: bonds (distance) C4'-P energy: -52.623 bonds (distance) P-C4' energy: -59.003 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -36.577 tors. eta vs tors. theta energy: -78.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -949.358569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.358569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.358569 (E_RNA) where: Base-Base interactions energy: -647.981 where: short stacking energy: -293.233 Base-Backbone interact. energy: -1.483 local terms energy: -299.894455 where: bonds (distance) C4'-P energy: -56.901 bonds (distance) P-C4' energy: -44.849 flat angles C4'-P-C4' energy: -66.992 flat angles P-C4'-P energy: -42.690 tors. eta vs tors. theta energy: -88.463 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: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -930.702374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.702374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.702374 (E_RNA) where: Base-Base interactions energy: -653.160 where: short stacking energy: -249.503 Base-Backbone interact. energy: -0.761 local terms energy: -276.781306 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -55.836 flat angles C4'-P-C4' energy: -51.651 flat angles P-C4'-P energy: -33.156 tors. eta vs tors. theta energy: -77.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -847.863536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.863536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.863536 (E_RNA) where: Base-Base interactions energy: -595.427 where: short stacking energy: -261.278 Base-Backbone interact. energy: 0.768 local terms energy: -253.205075 where: bonds (distance) C4'-P energy: -39.366 bonds (distance) P-C4' energy: -49.291 flat angles C4'-P-C4' energy: -61.167 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -65.085 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: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -749.326568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.326568 (E_RNA) where: Base-Base interactions energy: -512.227 where: short stacking energy: -231.663 Base-Backbone interact. energy: 2.155 local terms energy: -239.254501 where: bonds (distance) C4'-P energy: -42.835 bonds (distance) P-C4' energy: -49.265 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -31.948 tors. eta vs tors. theta energy: -64.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -701.988621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.988621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.988621 (E_RNA) where: Base-Base interactions energy: -486.769 where: short stacking energy: -204.290 Base-Backbone interact. energy: 0.641 local terms energy: -215.860668 where: bonds (distance) C4'-P energy: -36.275 bonds (distance) P-C4' energy: -50.198 flat angles C4'-P-C4' energy: -45.223 flat angles P-C4'-P energy: -31.805 tors. eta vs tors. theta energy: -52.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -515.829808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.829808 (E_RNA) where: Base-Base interactions energy: -333.665 where: short stacking energy: -144.337 Base-Backbone interact. energy: -2.713 local terms energy: -179.451794 where: bonds (distance) C4'-P energy: -39.682 bonds (distance) P-C4' energy: -50.479 flat angles C4'-P-C4' energy: -41.276 flat angles P-C4'-P energy: -30.431 tors. eta vs tors. theta energy: -17.583 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: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -240.038621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.038621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.038621 (E_RNA) where: Base-Base interactions energy: -92.348 where: short stacking energy: -73.203 Base-Backbone interact. energy: 5.354 local terms energy: -153.043924 where: bonds (distance) C4'-P energy: -47.876 bonds (distance) P-C4' energy: -51.826 flat angles C4'-P-C4' energy: -44.370 flat angles P-C4'-P energy: -27.156 tors. eta vs tors. theta energy: 18.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1081.736224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.736224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.736224 (E_RNA) where: Base-Base interactions energy: -760.401 where: short stacking energy: -317.116 Base-Backbone interact. energy: 1.108 local terms energy: -322.442435 where: bonds (distance) C4'-P energy: -56.943 bonds (distance) P-C4' energy: -58.836 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -52.489 tors. eta vs tors. theta energy: -87.993 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: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1029.116297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.116297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.116297 (E_RNA) where: Base-Base interactions energy: -730.840 where: short stacking energy: -293.034 Base-Backbone interact. energy: -1.959 local terms energy: -296.317894 where: bonds (distance) C4'-P energy: -51.811 bonds (distance) P-C4' energy: -54.570 flat angles C4'-P-C4' energy: -59.488 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -87.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1019.843439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.843439 (E_RNA) where: Base-Base interactions energy: -715.490 where: short stacking energy: -299.041 Base-Backbone interact. energy: -1.042 local terms energy: -303.311284 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -87.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -958.347599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.347599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.347599 (E_RNA) where: Base-Base interactions energy: -678.353 where: short stacking energy: -299.468 Base-Backbone interact. energy: -0.171 local terms energy: -279.823444 where: bonds (distance) C4'-P energy: -47.265 bonds (distance) P-C4' energy: -59.770 flat angles C4'-P-C4' energy: -50.224 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -81.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -958.907661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.907661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.907661 (E_RNA) where: Base-Base interactions energy: -684.232 where: short stacking energy: -269.675 Base-Backbone interact. energy: -0.844 local terms energy: -273.831958 where: bonds (distance) C4'-P energy: -43.723 bonds (distance) P-C4' energy: -52.221 flat angles C4'-P-C4' energy: -58.517 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -82.347 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: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -854.593870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.593870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.593870 (E_RNA) where: Base-Base interactions energy: -588.262 where: short stacking energy: -256.091 Base-Backbone interact. energy: -0.863 local terms energy: -265.469418 where: bonds (distance) C4'-P energy: -52.560 bonds (distance) P-C4' energy: -50.696 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -70.694 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: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -753.642221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.642221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.642221 (E_RNA) where: Base-Base interactions energy: -518.807 where: short stacking energy: -231.001 Base-Backbone interact. energy: 1.468 local terms energy: -236.304116 where: bonds (distance) C4'-P energy: -39.687 bonds (distance) P-C4' energy: -61.412 flat angles C4'-P-C4' energy: -40.467 flat angles P-C4'-P energy: -31.965 tors. eta vs tors. theta energy: -62.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -722.590674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.590674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.590674 (E_RNA) where: Base-Base interactions energy: -472.905 where: short stacking energy: -209.643 Base-Backbone interact. energy: -1.492 local terms energy: -248.194198 where: bonds (distance) C4'-P energy: -48.556 bonds (distance) P-C4' energy: -52.857 flat angles C4'-P-C4' energy: -43.986 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -61.479 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: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -538.056335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.056335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.056335 (E_RNA) where: Base-Base interactions energy: -346.777 where: short stacking energy: -167.133 Base-Backbone interact. energy: 3.023 local terms energy: -194.302550 where: bonds (distance) C4'-P energy: -35.244 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -51.269 flat angles P-C4'-P energy: -20.659 tors. eta vs tors. theta energy: -31.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -269.811675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.811675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.811675 (E_RNA) where: Base-Base interactions energy: -96.822 where: short stacking energy: -94.369 Base-Backbone interact. energy: 4.103 local terms energy: -177.092822 where: bonds (distance) C4'-P energy: -44.397 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -36.022 flat angles P-C4'-P energy: -30.818 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1082.999980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.999980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.999980 (E_RNA) where: Base-Base interactions energy: -766.914 where: short stacking energy: -312.196 Base-Backbone interact. energy: -0.441 local terms energy: -315.644262 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -69.312 flat angles P-C4'-P energy: -45.235 tors. eta vs tors. theta energy: -86.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1033.060477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.060477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.060477 (E_RNA) where: Base-Base interactions energy: -739.138 where: short stacking energy: -290.225 Base-Backbone interact. energy: -0.935 local terms energy: -292.987948 where: bonds (distance) C4'-P energy: -51.200 bonds (distance) P-C4' energy: -47.173 flat angles C4'-P-C4' energy: -65.834 flat angles P-C4'-P energy: -42.146 tors. eta vs tors. theta energy: -86.635 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: 475 Temperature: 1.000000 Total energy: -1036.948758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.948758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.948758 (E_RNA) where: Base-Base interactions energy: -739.700 where: short stacking energy: -292.692 Base-Backbone interact. energy: -0.763 local terms energy: -296.485010 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -57.967 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -88.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -959.798087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.798087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.798087 (E_RNA) where: Base-Base interactions energy: -663.635 where: short stacking energy: -278.280 Base-Backbone interact. energy: 1.627 local terms energy: -297.790213 where: bonds (distance) C4'-P energy: -53.733 bonds (distance) P-C4' energy: -58.371 flat angles C4'-P-C4' energy: -62.277 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: -84.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -917.752556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.752556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.752556 (E_RNA) where: Base-Base interactions energy: -654.192 where: short stacking energy: -280.162 Base-Backbone interact. energy: -0.781 local terms energy: -262.780097 where: bonds (distance) C4'-P energy: -40.092 bonds (distance) P-C4' energy: -48.884 flat angles C4'-P-C4' energy: -59.962 flat angles P-C4'-P energy: -38.469 tors. eta vs tors. theta energy: -75.372 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: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -876.699307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.699307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.699307 (E_RNA) where: Base-Base interactions energy: -610.885 where: short stacking energy: -256.563 Base-Backbone interact. energy: 0.020 local terms energy: -265.833915 where: bonds (distance) C4'-P energy: -51.602 bonds (distance) P-C4' energy: -45.221 flat angles C4'-P-C4' energy: -57.159 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -74.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -700.404139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.404139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.404139 (E_RNA) where: Base-Base interactions energy: -453.062 where: short stacking energy: -192.933 Base-Backbone interact. energy: -1.193 local terms energy: -246.149033 where: bonds (distance) C4'-P energy: -46.709 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -49.586 flat angles P-C4'-P energy: -37.446 tors. eta vs tors. theta energy: -53.660 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: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -732.249752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.249752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.249752 (E_RNA) where: Base-Base interactions energy: -471.177 where: short stacking energy: -204.937 Base-Backbone interact. energy: -1.256 local terms energy: -259.817308 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -61.142 flat angles C4'-P-C4' energy: -54.813 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: -56.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -514.352820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.352820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.352820 (E_RNA) where: Base-Base interactions energy: -323.053 where: short stacking energy: -143.696 Base-Backbone interact. energy: -0.490 local terms energy: -190.810507 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -33.289 flat angles C4'-P-C4' energy: -56.610 flat angles P-C4'-P energy: -27.024 tors. eta vs tors. theta energy: -17.909 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: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -243.697170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.697170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.697170 (E_RNA) where: Base-Base interactions energy: -88.521 where: short stacking energy: -68.509 Base-Backbone interact. energy: -1.834 local terms energy: -153.342387 where: bonds (distance) C4'-P energy: -48.156 bonds (distance) P-C4' energy: -46.522 flat angles C4'-P-C4' energy: -42.700 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: 10.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1079.564459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.564459 (E_RNA) where: Base-Base interactions energy: -765.544 where: short stacking energy: -303.115 Base-Backbone interact. energy: -1.034 local terms energy: -312.987156 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -57.115 flat angles C4'-P-C4' energy: -69.776 flat angles P-C4'-P energy: -40.763 tors. eta vs tors. theta energy: -87.900 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: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1046.484224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.484224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.484224 (E_RNA) where: Base-Base interactions energy: -748.526 where: short stacking energy: -286.519 Base-Backbone interact. energy: -1.683 local terms energy: -296.274586 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -57.676 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -36.047 tors. eta vs tors. theta energy: -84.430 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: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1029.133411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.133411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.133411 (E_RNA) where: Base-Base interactions energy: -724.402 where: short stacking energy: -281.771 Base-Backbone interact. energy: -1.585 local terms energy: -303.146834 where: bonds (distance) C4'-P energy: -52.298 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -58.427 flat angles P-C4'-P energy: -46.963 tors. eta vs tors. theta energy: -84.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -969.302833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.302833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.302833 (E_RNA) where: Base-Base interactions energy: -679.944 where: short stacking energy: -291.257 Base-Backbone interact. energy: -1.260 local terms energy: -288.098875 where: bonds (distance) C4'-P energy: -46.408 bonds (distance) P-C4' energy: -49.569 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -85.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -934.160588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.160588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.160588 (E_RNA) where: Base-Base interactions energy: -640.387 where: short stacking energy: -274.038 Base-Backbone interact. energy: 3.560 local terms energy: -297.334284 where: bonds (distance) C4'-P energy: -54.919 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -61.195 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -84.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -834.821648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.821648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.821648 (E_RNA) where: Base-Base interactions energy: -584.041 where: short stacking energy: -250.302 Base-Backbone interact. energy: 0.404 local terms energy: -251.184586 where: bonds (distance) C4'-P energy: -47.273 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -48.974 flat angles P-C4'-P energy: -29.840 tors. eta vs tors. theta energy: -68.219 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: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -743.769540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.769540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.769540 (E_RNA) where: Base-Base interactions energy: -500.977 where: short stacking energy: -228.158 Base-Backbone interact. energy: -0.652 local terms energy: -242.140595 where: bonds (distance) C4'-P energy: -51.036 bonds (distance) P-C4' energy: -52.441 flat angles C4'-P-C4' energy: -54.638 flat angles P-C4'-P energy: -38.804 tors. eta vs tors. theta energy: -45.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -698.443220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.443220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.443220 (E_RNA) where: Base-Base interactions energy: -456.314 where: short stacking energy: -203.789 Base-Backbone interact. energy: -0.708 local terms energy: -241.421287 where: bonds (distance) C4'-P energy: -46.991 bonds (distance) P-C4' energy: -42.787 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -57.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -518.770999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.770999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.770999 (E_RNA) where: Base-Base interactions energy: -304.498 where: short stacking energy: -138.376 Base-Backbone interact. energy: 1.071 local terms energy: -215.344780 where: bonds (distance) C4'-P energy: -50.401 bonds (distance) P-C4' energy: -55.239 flat angles C4'-P-C4' energy: -47.668 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -23.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -266.060403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.060403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.060403 (E_RNA) where: Base-Base interactions energy: -123.476 where: short stacking energy: -45.933 Base-Backbone interact. energy: 3.736 local terms energy: -146.319527 where: bonds (distance) C4'-P energy: -48.174 bonds (distance) P-C4' energy: -52.011 flat angles C4'-P-C4' energy: -41.132 flat angles P-C4'-P energy: -14.288 tors. eta vs tors. theta energy: 9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1079.419198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.419198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.419198 (E_RNA) where: Base-Base interactions energy: -764.954 where: short stacking energy: -304.051 Base-Backbone interact. energy: 0.185 local terms energy: -314.650115 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -85.054 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: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1022.827513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.827513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.827513 (E_RNA) where: Base-Base interactions energy: -716.557 where: short stacking energy: -272.596 Base-Backbone interact. energy: -1.620 local terms energy: -304.650422 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -67.497 flat angles P-C4'-P energy: -45.894 tors. eta vs tors. theta energy: -74.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1004.364352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.364352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.364352 (E_RNA) where: Base-Base interactions energy: -703.380 where: short stacking energy: -276.628 Base-Backbone interact. energy: -2.027 local terms energy: -298.956669 where: bonds (distance) C4'-P energy: -60.827 bonds (distance) P-C4' energy: -61.776 flat angles C4'-P-C4' energy: -61.201 flat angles P-C4'-P energy: -39.568 tors. eta vs tors. theta energy: -75.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -966.534088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.534088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.534088 (E_RNA) where: Base-Base interactions energy: -670.625 where: short stacking energy: -297.582 Base-Backbone interact. energy: -0.979 local terms energy: -294.930074 where: bonds (distance) C4'-P energy: -51.352 bonds (distance) P-C4' energy: -58.394 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -88.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -938.866866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.866866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.866866 (E_RNA) where: Base-Base interactions energy: -658.611 where: short stacking energy: -252.479 Base-Backbone interact. energy: 1.151 local terms energy: -281.406885 where: bonds (distance) C4'-P energy: -59.574 bonds (distance) P-C4' energy: -48.759 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -42.639 tors. eta vs tors. theta energy: -69.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -849.295171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.295171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.295171 (E_RNA) where: Base-Base interactions energy: -600.223 where: short stacking energy: -244.074 Base-Backbone interact. energy: -1.845 local terms energy: -247.227241 where: bonds (distance) C4'-P energy: -45.794 bonds (distance) P-C4' energy: -48.730 flat angles C4'-P-C4' energy: -45.826 flat angles P-C4'-P energy: -37.598 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: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -720.940972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.940972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.940972 (E_RNA) where: Base-Base interactions energy: -466.878 where: short stacking energy: -199.337 Base-Backbone interact. energy: -1.953 local terms energy: -252.109879 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -57.674 flat angles P-C4'-P energy: -33.123 tors. eta vs tors. theta energy: -57.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -728.410743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.410743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.410743 (E_RNA) where: Base-Base interactions energy: -490.651 where: short stacking energy: -222.892 Base-Backbone interact. energy: -0.725 local terms energy: -237.034305 where: bonds (distance) C4'-P energy: -38.475 bonds (distance) P-C4' energy: -48.165 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -35.554 tors. eta vs tors. theta energy: -55.470 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: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -568.708953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.708953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.708953 (E_RNA) where: Base-Base interactions energy: -375.544 where: short stacking energy: -175.969 Base-Backbone interact. energy: -1.551 local terms energy: -191.613512 where: bonds (distance) C4'-P energy: -50.531 bonds (distance) P-C4' energy: -42.307 flat angles C4'-P-C4' energy: -50.630 flat angles P-C4'-P energy: -16.705 tors. eta vs tors. theta energy: -31.441 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: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -305.947911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.947911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.947911 (E_RNA) where: Base-Base interactions energy: -143.950 where: short stacking energy: -86.726 Base-Backbone interact. energy: 1.065 local terms energy: -163.063443 where: bonds (distance) C4'-P energy: -46.597 bonds (distance) P-C4' energy: -57.678 flat angles C4'-P-C4' energy: -41.558 flat angles P-C4'-P energy: -22.429 tors. eta vs tors. theta energy: 5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1094.174972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.174972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.174972 (E_RNA) where: Base-Base interactions energy: -781.166 where: short stacking energy: -308.659 Base-Backbone interact. energy: -0.918 local terms energy: -312.090912 where: bonds (distance) C4'-P energy: -44.804 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -69.766 flat angles P-C4'-P energy: -43.847 tors. eta vs tors. theta energy: -88.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1042.554944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.554944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.554944 (E_RNA) where: Base-Base interactions energy: -743.134 where: short stacking energy: -294.692 Base-Backbone interact. energy: -1.349 local terms energy: -298.072020 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -55.901 flat angles C4'-P-C4' energy: -67.932 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -76.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -968.932610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.932610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.932610 (E_RNA) where: Base-Base interactions energy: -661.809 where: short stacking energy: -281.368 Base-Backbone interact. energy: -0.786 local terms energy: -306.336766 where: bonds (distance) C4'-P energy: -56.355 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -64.608 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -85.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1000.367206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.367206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.367206 (E_RNA) where: Base-Base interactions energy: -705.051 where: short stacking energy: -282.794 Base-Backbone interact. energy: -1.259 local terms energy: -294.057047 where: bonds (distance) C4'-P energy: -43.723 bonds (distance) P-C4' energy: -57.823 flat angles C4'-P-C4' energy: -65.290 flat angles P-C4'-P energy: -41.639 tors. eta vs tors. theta energy: -85.582 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: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -882.535614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.535614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.535614 (E_RNA) where: Base-Base interactions energy: -611.666 where: short stacking energy: -266.306 Base-Backbone interact. energy: -1.576 local terms energy: -269.293597 where: bonds (distance) C4'-P energy: -51.467 bonds (distance) P-C4' energy: -44.671 flat angles C4'-P-C4' energy: -58.520 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: -71.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -873.113343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.113343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.113343 (E_RNA) where: Base-Base interactions energy: -618.059 where: short stacking energy: -241.501 Base-Backbone interact. energy: 0.570 local terms energy: -255.624510 where: bonds (distance) C4'-P energy: -47.972 bonds (distance) P-C4' energy: -51.641 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -23.945 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: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -741.492981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.492981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.492981 (E_RNA) where: Base-Base interactions energy: -506.724 where: short stacking energy: -244.790 Base-Backbone interact. energy: -2.004 local terms energy: -232.764251 where: bonds (distance) C4'-P energy: -44.360 bonds (distance) P-C4' energy: -49.098 flat angles C4'-P-C4' energy: -52.410 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: -56.660 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: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -713.385644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.385644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.385644 (E_RNA) where: Base-Base interactions energy: -460.097 where: short stacking energy: -213.781 Base-Backbone interact. energy: -1.134 local terms energy: -252.155151 where: bonds (distance) C4'-P energy: -55.731 bonds (distance) P-C4' energy: -54.998 flat angles C4'-P-C4' energy: -65.898 flat angles P-C4'-P energy: -30.809 tors. eta vs tors. theta energy: -44.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -573.692118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.692118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.692118 (E_RNA) where: Base-Base interactions energy: -361.694 where: short stacking energy: -177.111 Base-Backbone interact. energy: -0.923 local terms energy: -211.074701 where: bonds (distance) C4'-P energy: -45.310 bonds (distance) P-C4' energy: -55.308 flat angles C4'-P-C4' energy: -52.234 flat angles P-C4'-P energy: -27.262 tors. eta vs tors. theta energy: -30.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -301.496292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.496292 (E_RNA) where: Base-Base interactions energy: -143.890 where: short stacking energy: -88.654 Base-Backbone interact. energy: 0.181 local terms energy: -157.787726 where: bonds (distance) C4'-P energy: -42.011 bonds (distance) P-C4' energy: -45.116 flat angles C4'-P-C4' energy: -35.495 flat angles P-C4'-P energy: -24.167 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1094.398577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.398577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.398577 (E_RNA) where: Base-Base interactions energy: -787.255 where: short stacking energy: -302.243 Base-Backbone interact. energy: -0.981 local terms energy: -306.162263 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -65.392 flat angles P-C4'-P energy: -35.876 tors. eta vs tors. theta energy: -86.228 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: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1036.920872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.920872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.920872 (E_RNA) where: Base-Base interactions energy: -731.334 where: short stacking energy: -302.367 Base-Backbone interact. energy: -0.490 local terms energy: -305.096181 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -53.034 flat angles C4'-P-C4' energy: -67.573 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -87.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -947.623558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.623558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.623558 (E_RNA) where: Base-Base interactions energy: -636.463 where: short stacking energy: -269.594 Base-Backbone interact. energy: 0.479 local terms energy: -311.639576 where: bonds (distance) C4'-P energy: -59.259 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -80.926 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: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -997.813292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.813292 (E_RNA) where: Base-Base interactions energy: -695.244 where: short stacking energy: -280.108 Base-Backbone interact. energy: -1.916 local terms energy: -300.653202 where: bonds (distance) C4'-P energy: -50.610 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -43.671 tors. eta vs tors. theta energy: -81.171 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: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -873.943495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.943495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.943495 (E_RNA) where: Base-Base interactions energy: -596.092 where: short stacking energy: -263.628 Base-Backbone interact. energy: -0.296 local terms energy: -277.555492 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -51.784 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -39.714 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: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -856.133881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.133881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.133881 (E_RNA) where: Base-Base interactions energy: -586.410 where: short stacking energy: -240.847 Base-Backbone interact. energy: -1.879 local terms energy: -267.845093 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -56.146 flat angles C4'-P-C4' energy: -60.470 flat angles P-C4'-P energy: -37.173 tors. eta vs tors. theta energy: -64.379 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: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -705.058366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.058366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.058366 (E_RNA) where: Base-Base interactions energy: -467.634 where: short stacking energy: -209.076 Base-Backbone interact. energy: -0.863 local terms energy: -236.560985 where: bonds (distance) C4'-P energy: -51.027 bonds (distance) P-C4' energy: -56.022 flat angles C4'-P-C4' energy: -55.841 flat angles P-C4'-P energy: -30.987 tors. eta vs tors. theta energy: -42.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -653.063756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.063756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.063756 (E_RNA) where: Base-Base interactions energy: -438.685 where: short stacking energy: -183.369 Base-Backbone interact. energy: 2.728 local terms energy: -217.107068 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -49.167 flat angles C4'-P-C4' energy: -37.323 flat angles P-C4'-P energy: -31.800 tors. eta vs tors. theta energy: -42.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -523.278543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.278543 (E_RNA) where: Base-Base interactions energy: -316.749 where: short stacking energy: -157.891 Base-Backbone interact. energy: -0.659 local terms energy: -205.870168 where: bonds (distance) C4'-P energy: -44.209 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -50.701 flat angles P-C4'-P energy: -29.242 tors. eta vs tors. theta energy: -29.281 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: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -242.801800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.801800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.801800 (E_RNA) where: Base-Base interactions energy: -103.076 where: short stacking energy: -76.003 Base-Backbone interact. energy: -0.447 local terms energy: -139.278474 where: bonds (distance) C4'-P energy: -43.773 bonds (distance) P-C4' energy: -47.630 flat angles C4'-P-C4' energy: -32.818 flat angles P-C4'-P energy: -24.109 tors. eta vs tors. theta energy: 9.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1103.949063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.949063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.949063 (E_RNA) where: Base-Base interactions energy: -792.097 where: short stacking energy: -308.905 Base-Backbone interact. energy: 2.641 local terms energy: -314.492585 where: bonds (distance) C4'-P energy: -61.794 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -68.355 flat angles P-C4'-P energy: -34.815 tors. eta vs tors. theta energy: -87.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1032.587552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.587552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.587552 (E_RNA) where: Base-Base interactions energy: -753.792 where: short stacking energy: -297.227 Base-Backbone interact. energy: -2.542 local terms energy: -276.253389 where: bonds (distance) C4'-P energy: -50.654 bonds (distance) P-C4' energy: -50.210 flat angles C4'-P-C4' energy: -61.593 flat angles P-C4'-P energy: -33.183 tors. eta vs tors. theta energy: -80.614 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: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1000.240349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.240349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.240349 (E_RNA) where: Base-Base interactions energy: -702.964 where: short stacking energy: -292.428 Base-Backbone interact. energy: -0.151 local terms energy: -297.125272 where: bonds (distance) C4'-P energy: -52.656 bonds (distance) P-C4' energy: -58.572 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -76.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -935.226747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.226747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.226747 (E_RNA) where: Base-Base interactions energy: -662.197 where: short stacking energy: -266.604 Base-Backbone interact. energy: -1.271 local terms energy: -271.758726 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -48.963 flat angles P-C4'-P energy: -35.533 tors. eta vs tors. theta energy: -76.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -865.325334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.325334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.325334 (E_RNA) where: Base-Base interactions energy: -582.615 where: short stacking energy: -261.775 Base-Backbone interact. energy: -1.440 local terms energy: -281.270574 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -52.577 flat angles C4'-P-C4' energy: -61.760 flat angles P-C4'-P energy: -50.561 tors. eta vs tors. theta energy: -64.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -853.412717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.412717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.412717 (E_RNA) where: Base-Base interactions energy: -600.090 where: short stacking energy: -245.969 Base-Backbone interact. energy: -1.191 local terms energy: -252.131623 where: bonds (distance) C4'-P energy: -44.919 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -48.212 flat angles P-C4'-P energy: -30.693 tors. eta vs tors. theta energy: -66.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -675.799631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.799631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.799631 (E_RNA) where: Base-Base interactions energy: -461.324 where: short stacking energy: -197.082 Base-Backbone interact. energy: -0.311 local terms energy: -214.164535 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -42.116 flat angles C4'-P-C4' energy: -51.790 flat angles P-C4'-P energy: -32.964 tors. eta vs tors. theta energy: -35.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -685.918147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.918147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.918147 (E_RNA) where: Base-Base interactions energy: -457.779 where: short stacking energy: -202.740 Base-Backbone interact. energy: -0.835 local terms energy: -227.303370 where: bonds (distance) C4'-P energy: -49.282 bonds (distance) P-C4' energy: -48.230 flat angles C4'-P-C4' energy: -47.828 flat angles P-C4'-P energy: -34.559 tors. eta vs tors. theta energy: -47.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -554.487841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.487841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.487841 (E_RNA) where: Base-Base interactions energy: -330.996 where: short stacking energy: -157.529 Base-Backbone interact. energy: -1.682 local terms energy: -221.809881 where: bonds (distance) C4'-P energy: -44.616 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -53.057 flat angles P-C4'-P energy: -25.196 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: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -255.735675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.735675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.735675 (E_RNA) where: Base-Base interactions energy: -85.994 where: short stacking energy: -83.676 Base-Backbone interact. energy: 0.195 local terms energy: -169.936854 where: bonds (distance) C4'-P energy: -48.073 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -39.341 flat angles P-C4'-P energy: -21.235 tors. eta vs tors. theta energy: 0.568 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: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1075.553238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.553238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.553238 (E_RNA) where: Base-Base interactions energy: -769.914 where: short stacking energy: -309.822 Base-Backbone interact. energy: 0.014 local terms energy: -305.652747 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -58.719 flat angles C4'-P-C4' energy: -71.272 flat angles P-C4'-P energy: -32.517 tors. eta vs tors. theta energy: -83.492 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: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1042.203265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.203265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.203265 (E_RNA) where: Base-Base interactions energy: -727.686 where: short stacking energy: -293.688 Base-Backbone interact. energy: -1.402 local terms energy: -313.115795 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -57.115 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -84.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1007.876004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.876004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.876004 (E_RNA) where: Base-Base interactions energy: -704.196 where: short stacking energy: -299.822 Base-Backbone interact. energy: -0.194 local terms energy: -303.486233 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -60.943 flat angles C4'-P-C4' energy: -59.693 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -85.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -928.484713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.484713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.484713 (E_RNA) where: Base-Base interactions energy: -657.031 where: short stacking energy: -264.696 Base-Backbone interact. energy: 0.379 local terms energy: -271.832622 where: bonds (distance) C4'-P energy: -45.750 bonds (distance) P-C4' energy: -58.441 flat angles C4'-P-C4' energy: -61.710 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -66.565 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: 481 Temperature: 1.100000 Total energy: -847.693411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.693411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.693411 (E_RNA) where: Base-Base interactions energy: -587.791 where: short stacking energy: -253.410 Base-Backbone interact. energy: -0.892 local terms energy: -259.010503 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -51.032 flat angles C4'-P-C4' energy: -41.496 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -66.109 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -876.005090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.005090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.005090 (E_RNA) where: Base-Base interactions energy: -621.158 where: short stacking energy: -259.920 Base-Backbone interact. energy: -0.429 local terms energy: -254.418102 where: bonds (distance) C4'-P energy: -45.619 bonds (distance) P-C4' energy: -44.431 flat angles C4'-P-C4' energy: -51.715 flat angles P-C4'-P energy: -37.748 tors. eta vs tors. theta energy: -74.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -707.454082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.454082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.454082 (E_RNA) where: Base-Base interactions energy: -471.762 where: short stacking energy: -217.997 Base-Backbone interact. energy: -1.083 local terms energy: -234.609194 where: bonds (distance) C4'-P energy: -49.149 bonds (distance) P-C4' energy: -50.521 flat angles C4'-P-C4' energy: -50.780 flat angles P-C4'-P energy: -31.250 tors. eta vs tors. theta energy: -52.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -663.805164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.805164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.805164 (E_RNA) where: Base-Base interactions energy: -460.794 where: short stacking energy: -208.602 Base-Backbone interact. energy: 1.844 local terms energy: -204.855173 where: bonds (distance) C4'-P energy: -44.472 bonds (distance) P-C4' energy: -30.389 flat angles C4'-P-C4' energy: -47.256 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -48.909 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: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -555.474436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.474436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.474436 (E_RNA) where: Base-Base interactions energy: -363.916 where: short stacking energy: -167.409 Base-Backbone interact. energy: 0.400 local terms energy: -191.958382 where: bonds (distance) C4'-P energy: -39.767 bonds (distance) P-C4' energy: -43.997 flat angles C4'-P-C4' energy: -42.235 flat angles P-C4'-P energy: -32.060 tors. eta vs tors. theta energy: -33.900 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: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -260.149963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.149963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.149963 (E_RNA) where: Base-Base interactions energy: -89.102 where: short stacking energy: -79.095 Base-Backbone interact. energy: -0.871 local terms energy: -170.176462 where: bonds (distance) C4'-P energy: -50.185 bonds (distance) P-C4' energy: -51.157 flat angles C4'-P-C4' energy: -42.512 flat angles P-C4'-P energy: -24.137 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1075.706248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.706248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.706248 (E_RNA) where: Base-Base interactions energy: -765.131 where: short stacking energy: -295.204 Base-Backbone interact. energy: 0.273 local terms energy: -310.847625 where: bonds (distance) C4'-P energy: -57.311 bonds (distance) P-C4' energy: -56.080 flat angles C4'-P-C4' energy: -66.736 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -84.527 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: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1043.133382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.133382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.133382 (E_RNA) where: Base-Base interactions energy: -742.867 where: short stacking energy: -294.906 Base-Backbone interact. energy: -1.244 local terms energy: -299.022166 where: bonds (distance) C4'-P energy: -55.087 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -63.100 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -77.541 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: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -954.898782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.898782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.898782 (E_RNA) where: Base-Base interactions energy: -665.390 where: short stacking energy: -291.669 Base-Backbone interact. energy: -0.047 local terms energy: -289.461974 where: bonds (distance) C4'-P energy: -57.336 bonds (distance) P-C4' energy: -45.290 flat angles C4'-P-C4' energy: -57.214 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -85.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -977.747534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.747534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.747534 (E_RNA) where: Base-Base interactions energy: -694.890 where: short stacking energy: -281.346 Base-Backbone interact. energy: -1.669 local terms energy: -281.188804 where: bonds (distance) C4'-P energy: -51.288 bonds (distance) P-C4' energy: -49.437 flat angles C4'-P-C4' energy: -63.132 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -78.975 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: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -861.812462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.812462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.812462 (E_RNA) where: Base-Base interactions energy: -589.747 where: short stacking energy: -257.967 Base-Backbone interact. energy: 0.496 local terms energy: -272.560911 where: bonds (distance) C4'-P energy: -57.388 bonds (distance) P-C4' energy: -46.203 flat angles C4'-P-C4' energy: -64.680 flat angles P-C4'-P energy: -38.075 tors. eta vs tors. theta energy: -66.214 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: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -863.442631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.442631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.442631 (E_RNA) where: Base-Base interactions energy: -604.161 where: short stacking energy: -245.996 Base-Backbone interact. energy: -1.060 local terms energy: -258.221774 where: bonds (distance) C4'-P energy: -50.282 bonds (distance) P-C4' energy: -45.691 flat angles C4'-P-C4' energy: -61.601 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -65.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -700.743182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.743182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.743182 (E_RNA) where: Base-Base interactions energy: -476.691 where: short stacking energy: -215.269 Base-Backbone interact. energy: 4.973 local terms energy: -229.024903 where: bonds (distance) C4'-P energy: -45.621 bonds (distance) P-C4' energy: -53.515 flat angles C4'-P-C4' energy: -53.798 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: -41.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -650.188748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.188748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.188748 (E_RNA) where: Base-Base interactions energy: -427.521 where: short stacking energy: -193.254 Base-Backbone interact. energy: -2.276 local terms energy: -220.392531 where: bonds (distance) C4'-P energy: -51.847 bonds (distance) P-C4' energy: -41.549 flat angles C4'-P-C4' energy: -48.977 flat angles P-C4'-P energy: -27.421 tors. eta vs tors. theta energy: -50.598 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: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -509.333200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.333200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.333200 (E_RNA) where: Base-Base interactions energy: -319.622 where: short stacking energy: -142.490 Base-Backbone interact. energy: 1.899 local terms energy: -191.610898 where: bonds (distance) C4'-P energy: -56.141 bonds (distance) P-C4' energy: -48.657 flat angles C4'-P-C4' energy: -48.193 flat angles P-C4'-P energy: -25.310 tors. eta vs tors. theta energy: -13.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -322.064778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.064778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.064778 (E_RNA) where: Base-Base interactions energy: -163.696 where: short stacking energy: -105.849 Base-Backbone interact. energy: 3.614 local terms energy: -161.983584 where: bonds (distance) C4'-P energy: -45.689 bonds (distance) P-C4' energy: -40.924 flat angles C4'-P-C4' energy: -52.412 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1068.977802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.977802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.977802 (E_RNA) where: Base-Base interactions energy: -755.729 where: short stacking energy: -307.155 Base-Backbone interact. energy: -1.430 local terms energy: -311.818752 where: bonds (distance) C4'-P energy: -57.786 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -62.951 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -86.540 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: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1034.641364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.641364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.641364 (E_RNA) where: Base-Base interactions energy: -733.834 where: short stacking energy: -294.236 Base-Backbone interact. energy: 0.429 local terms energy: -301.235938 where: bonds (distance) C4'-P energy: -61.041 bonds (distance) P-C4' energy: -49.418 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -82.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -956.634402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.634402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.634402 (E_RNA) where: Base-Base interactions energy: -683.154 where: short stacking energy: -280.349 Base-Backbone interact. energy: -0.215 local terms energy: -273.265162 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -48.999 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -36.226 tors. eta vs tors. theta energy: -73.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -980.092877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.092877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.092877 (E_RNA) where: Base-Base interactions energy: -683.501 where: short stacking energy: -273.266 Base-Backbone interact. energy: -0.338 local terms energy: -296.253946 where: bonds (distance) C4'-P energy: -51.938 bonds (distance) P-C4' energy: -51.249 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -82.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -872.551534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.551534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.551534 (E_RNA) where: Base-Base interactions energy: -603.732 where: short stacking energy: -255.415 Base-Backbone interact. energy: -0.565 local terms energy: -268.254390 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -49.619 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -31.660 tors. eta vs tors. theta energy: -68.218 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -901.965775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.965775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.965775 (E_RNA) where: Base-Base interactions energy: -639.177 where: short stacking energy: -251.765 Base-Backbone interact. energy: 2.372 local terms energy: -265.160160 where: bonds (distance) C4'-P energy: -50.697 bonds (distance) P-C4' energy: -49.449 flat angles C4'-P-C4' energy: -59.418 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -62.443 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: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -699.722111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.722111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.722111 (E_RNA) where: Base-Base interactions energy: -477.955 where: short stacking energy: -209.807 Base-Backbone interact. energy: 2.657 local terms energy: -224.423995 where: bonds (distance) C4'-P energy: -37.182 bonds (distance) P-C4' energy: -48.031 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -31.941 tors. eta vs tors. theta energy: -52.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -724.563361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.563361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.563361 (E_RNA) where: Base-Base interactions energy: -502.051 where: short stacking energy: -214.776 Base-Backbone interact. energy: -0.431 local terms energy: -222.081655 where: bonds (distance) C4'-P energy: -50.666 bonds (distance) P-C4' energy: -42.598 flat angles C4'-P-C4' energy: -50.287 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -44.467 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: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -506.071097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.071097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.071097 (E_RNA) where: Base-Base interactions energy: -311.480 where: short stacking energy: -147.436 Base-Backbone interact. energy: 1.580 local terms energy: -196.171107 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -49.573 flat angles C4'-P-C4' energy: -35.666 flat angles P-C4'-P energy: -29.050 tors. eta vs tors. theta energy: -20.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -323.027649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.027649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.027649 (E_RNA) where: Base-Base interactions energy: -156.982 where: short stacking energy: -102.566 Base-Backbone interact. energy: 0.560 local terms energy: -166.605739 where: bonds (distance) C4'-P energy: -57.745 bonds (distance) P-C4' energy: -50.084 flat angles C4'-P-C4' energy: -42.847 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -7.001 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: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1088.484682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.484682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.484682 (E_RNA) where: Base-Base interactions energy: -770.755 where: short stacking energy: -317.132 Base-Backbone interact. energy: 1.386 local terms energy: -319.115254 where: bonds (distance) C4'-P energy: -63.890 bonds (distance) P-C4' energy: -51.194 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -44.799 tors. eta vs tors. theta energy: -92.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1034.662550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.662550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.662550 (E_RNA) where: Base-Base interactions energy: -720.653 where: short stacking energy: -285.237 Base-Backbone interact. energy: -3.688 local terms energy: -310.321506 where: bonds (distance) C4'-P energy: -62.956 bonds (distance) P-C4' energy: -49.932 flat angles C4'-P-C4' energy: -69.284 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -75.468 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: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -990.017830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.017830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.017830 (E_RNA) where: Base-Base interactions energy: -697.079 where: short stacking energy: -276.510 Base-Backbone interact. energy: -0.051 local terms energy: -292.887577 where: bonds (distance) C4'-P energy: -50.560 bonds (distance) P-C4' energy: -61.038 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -38.603 tors. eta vs tors. theta energy: -79.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -931.126337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.126337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.126337 (E_RNA) where: Base-Base interactions energy: -656.953 where: short stacking energy: -265.317 Base-Backbone interact. energy: 0.354 local terms energy: -274.527525 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -53.373 flat angles C4'-P-C4' energy: -64.506 flat angles P-C4'-P energy: -31.299 tors. eta vs tors. theta energy: -75.481 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: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -898.965940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.965940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.965940 (E_RNA) where: Base-Base interactions energy: -614.442 where: short stacking energy: -238.527 Base-Backbone interact. energy: -2.267 local terms energy: -282.256841 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -55.050 flat angles C4'-P-C4' energy: -61.539 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: -62.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -836.717876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.717876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.717876 (E_RNA) where: Base-Base interactions energy: -585.079 where: short stacking energy: -261.022 Base-Backbone interact. energy: -0.565 local terms energy: -251.073929 where: bonds (distance) C4'-P energy: -45.708 bonds (distance) P-C4' energy: -48.318 flat angles C4'-P-C4' energy: -60.909 flat angles P-C4'-P energy: -28.410 tors. eta vs tors. theta energy: -67.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -717.965538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.965538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.965538 (E_RNA) where: Base-Base interactions energy: -489.617 where: short stacking energy: -200.928 Base-Backbone interact. energy: -0.371 local terms energy: -227.977305 where: bonds (distance) C4'-P energy: -46.215 bonds (distance) P-C4' energy: -42.586 flat angles C4'-P-C4' energy: -49.341 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -57.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -642.996714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.996714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.996714 (E_RNA) where: Base-Base interactions energy: -417.418 where: short stacking energy: -175.135 Base-Backbone interact. energy: 4.213 local terms energy: -229.792217 where: bonds (distance) C4'-P energy: -45.694 bonds (distance) P-C4' energy: -56.316 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: -34.100 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: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -552.263665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.263665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.263665 (E_RNA) where: Base-Base interactions energy: -348.346 where: short stacking energy: -158.724 Base-Backbone interact. energy: 3.497 local terms energy: -207.414347 where: bonds (distance) C4'-P energy: -46.111 bonds (distance) P-C4' energy: -48.212 flat angles C4'-P-C4' energy: -50.850 flat angles P-C4'-P energy: -28.714 tors. eta vs tors. theta energy: -33.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -358.911901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.911901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.911901 (E_RNA) where: Base-Base interactions energy: -170.872 where: short stacking energy: -108.410 Base-Backbone interact. energy: -0.712 local terms energy: -187.327840 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -45.422 flat angles P-C4'-P energy: -19.400 tors. eta vs tors. theta energy: -9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1086.720482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.720482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.720482 (E_RNA) where: Base-Base interactions energy: -760.726 where: short stacking energy: -302.229 Base-Backbone interact. energy: -0.913 local terms energy: -325.080673 where: bonds (distance) C4'-P energy: -63.950 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -67.115 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -87.150 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: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1021.723729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.723729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.723729 (E_RNA) where: Base-Base interactions energy: -748.461 where: short stacking energy: -302.118 Base-Backbone interact. energy: 2.636 local terms energy: -275.898558 where: bonds (distance) C4'-P energy: -58.287 bonds (distance) P-C4' energy: -51.160 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -34.785 tors. eta vs tors. theta energy: -69.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -994.846801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.846801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.846801 (E_RNA) where: Base-Base interactions energy: -697.802 where: short stacking energy: -281.104 Base-Backbone interact. energy: 0.054 local terms energy: -297.098608 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -57.396 flat angles C4'-P-C4' energy: -58.285 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -83.759 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: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -925.802990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.802990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.802990 (E_RNA) where: Base-Base interactions energy: -631.263 where: short stacking energy: -282.402 Base-Backbone interact. energy: -3.676 local terms energy: -290.864745 where: bonds (distance) C4'-P energy: -53.037 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -62.793 flat angles P-C4'-P energy: -37.966 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -912.237934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.237934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.237934 (E_RNA) where: Base-Base interactions energy: -623.359 where: short stacking energy: -253.418 Base-Backbone interact. energy: 0.293 local terms energy: -289.172119 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -55.643 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -75.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -829.900204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.900204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.900204 (E_RNA) where: Base-Base interactions energy: -557.153 where: short stacking energy: -252.579 Base-Backbone interact. energy: -0.221 local terms energy: -272.525548 where: bonds (distance) C4'-P energy: -47.682 bonds (distance) P-C4' energy: -58.450 flat angles C4'-P-C4' energy: -58.172 flat angles P-C4'-P energy: -37.753 tors. eta vs tors. theta energy: -70.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -688.415560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.415560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.415560 (E_RNA) where: Base-Base interactions energy: -458.743 where: short stacking energy: -197.179 Base-Backbone interact. energy: -1.228 local terms energy: -228.444809 where: bonds (distance) C4'-P energy: -43.317 bonds (distance) P-C4' energy: -48.921 flat angles C4'-P-C4' energy: -54.839 flat angles P-C4'-P energy: -32.855 tors. eta vs tors. theta energy: -48.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -682.002447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.002447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.002447 (E_RNA) where: Base-Base interactions energy: -451.329 where: short stacking energy: -208.203 Base-Backbone interact. energy: -0.546 local terms energy: -230.127835 where: bonds (distance) C4'-P energy: -39.419 bonds (distance) P-C4' energy: -40.980 flat angles C4'-P-C4' energy: -56.094 flat angles P-C4'-P energy: -39.663 tors. eta vs tors. theta energy: -53.972 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: 485 Temperature: 1.300000 Total energy: -533.864360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.864360 (E_RNA) where: Base-Base interactions energy: -332.123 where: short stacking energy: -148.986 Base-Backbone interact. energy: -0.199 local terms energy: -201.542006 where: bonds (distance) C4'-P energy: -47.396 bonds (distance) P-C4' energy: -46.427 flat angles C4'-P-C4' energy: -51.114 flat angles P-C4'-P energy: -31.245 tors. eta vs tors. theta energy: -25.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -288.884806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.884806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.884806 (E_RNA) where: Base-Base interactions energy: -117.647 where: short stacking energy: -76.378 Base-Backbone interact. energy: -0.030 local terms energy: -171.208245 where: bonds (distance) C4'-P energy: -58.594 bonds (distance) P-C4' energy: -49.287 flat angles C4'-P-C4' energy: -40.036 flat angles P-C4'-P energy: -22.924 tors. eta vs tors. theta energy: -0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1077.227764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.227764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.227764 (E_RNA) where: Base-Base interactions energy: -764.756 where: short stacking energy: -299.456 Base-Backbone interact. energy: 0.559 local terms energy: -313.030797 where: bonds (distance) C4'-P energy: -50.311 bonds (distance) P-C4' energy: -57.305 flat angles C4'-P-C4' energy: -69.441 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -87.792 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: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1025.707661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.707661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.707661 (E_RNA) where: Base-Base interactions energy: -730.464 where: short stacking energy: -292.132 Base-Backbone interact. energy: -2.249 local terms energy: -292.995302 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -51.452 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -43.387 tors. eta vs tors. theta energy: -74.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1008.528504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.528504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.528504 (E_RNA) where: Base-Base interactions energy: -705.931 where: short stacking energy: -286.411 Base-Backbone interact. energy: -0.554 local terms energy: -302.044319 where: bonds (distance) C4'-P energy: -50.628 bonds (distance) P-C4' energy: -62.482 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -78.141 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: 10 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -922.293620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.293620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.293620 (E_RNA) where: Base-Base interactions energy: -651.260 where: short stacking energy: -274.702 Base-Backbone interact. energy: -1.773 local terms energy: -269.260411 where: bonds (distance) C4'-P energy: -48.993 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: -74.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -912.426884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.426884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.426884 (E_RNA) where: Base-Base interactions energy: -632.371 where: short stacking energy: -262.350 Base-Backbone interact. energy: -1.400 local terms energy: -278.656384 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -52.554 flat angles C4'-P-C4' energy: -58.544 flat angles P-C4'-P energy: -36.179 tors. eta vs tors. theta energy: -73.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -831.775264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.775264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.775264 (E_RNA) where: Base-Base interactions energy: -572.707 where: short stacking energy: -257.320 Base-Backbone interact. energy: 1.609 local terms energy: -260.676556 where: bonds (distance) C4'-P energy: -56.842 bonds (distance) P-C4' energy: -46.098 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -35.063 tors. eta vs tors. theta energy: -63.313 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: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -692.126461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.126461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.126461 (E_RNA) where: Base-Base interactions energy: -463.635 where: short stacking energy: -206.425 Base-Backbone interact. energy: 1.440 local terms energy: -229.931958 where: bonds (distance) C4'-P energy: -42.242 bonds (distance) P-C4' energy: -48.471 flat angles C4'-P-C4' energy: -50.347 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -54.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -664.730112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.730112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.730112 (E_RNA) where: Base-Base interactions energy: -452.893 where: short stacking energy: -199.411 Base-Backbone interact. energy: -1.604 local terms energy: -210.233297 where: bonds (distance) C4'-P energy: -45.617 bonds (distance) P-C4' energy: -41.883 flat angles C4'-P-C4' energy: -54.528 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: -35.457 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: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -554.788344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.788344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.788344 (E_RNA) where: Base-Base interactions energy: -378.248 where: short stacking energy: -167.535 Base-Backbone interact. energy: 1.907 local terms energy: -178.447416 where: bonds (distance) C4'-P energy: -40.194 bonds (distance) P-C4' energy: -39.296 flat angles C4'-P-C4' energy: -46.563 flat angles P-C4'-P energy: -21.060 tors. eta vs tors. theta energy: -31.335 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: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -250.209636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.209636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.209636 (E_RNA) where: Base-Base interactions energy: -103.061 where: short stacking energy: -82.283 Base-Backbone interact. energy: 4.221 local terms energy: -151.370103 where: bonds (distance) C4'-P energy: -47.947 bonds (distance) P-C4' energy: -49.753 flat angles C4'-P-C4' energy: -38.036 flat angles P-C4'-P energy: -24.537 tors. eta vs tors. theta energy: 8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1081.433785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.433785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.433785 (E_RNA) where: Base-Base interactions energy: -782.388 where: short stacking energy: -305.348 Base-Backbone interact. energy: -1.957 local terms energy: -297.088167 where: bonds (distance) C4'-P energy: -53.369 bonds (distance) P-C4' energy: -57.847 flat angles C4'-P-C4' energy: -58.906 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -85.249 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: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1025.700556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.700556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.700556 (E_RNA) where: Base-Base interactions energy: -727.886 where: short stacking energy: -275.913 Base-Backbone interact. energy: -1.677 local terms energy: -296.137060 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -63.858 flat angles P-C4'-P energy: -36.551 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: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -996.835650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.835650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.835650 (E_RNA) where: Base-Base interactions energy: -701.960 where: short stacking energy: -287.953 Base-Backbone interact. energy: 0.902 local terms energy: -295.777608 where: bonds (distance) C4'-P energy: -53.541 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -40.235 tors. eta vs tors. theta energy: -78.719 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: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -934.388093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.388093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.388093 (E_RNA) where: Base-Base interactions energy: -641.077 where: short stacking energy: -247.498 Base-Backbone interact. energy: -1.179 local terms energy: -292.132260 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -57.538 flat angles C4'-P-C4' energy: -61.297 flat angles P-C4'-P energy: -41.023 tors. eta vs tors. theta energy: -68.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -913.534965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.534965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.534965 (E_RNA) where: Base-Base interactions energy: -629.136 where: short stacking energy: -264.936 Base-Backbone interact. energy: 0.982 local terms energy: -285.380433 where: bonds (distance) C4'-P energy: -51.015 bonds (distance) P-C4' energy: -55.919 flat angles C4'-P-C4' energy: -51.288 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -80.247 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: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -845.939426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.939426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.939426 (E_RNA) where: Base-Base interactions energy: -592.097 where: short stacking energy: -248.560 Base-Backbone interact. energy: -1.358 local terms energy: -252.483897 where: bonds (distance) C4'-P energy: -38.895 bonds (distance) P-C4' energy: -57.973 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -34.714 tors. eta vs tors. theta energy: -67.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -723.025740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.025740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.025740 (E_RNA) where: Base-Base interactions energy: -484.512 where: short stacking energy: -207.377 Base-Backbone interact. energy: -1.674 local terms energy: -236.839094 where: bonds (distance) C4'-P energy: -39.668 bonds (distance) P-C4' energy: -57.780 flat angles C4'-P-C4' energy: -59.694 flat angles P-C4'-P energy: -38.825 tors. eta vs tors. theta energy: -40.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -714.157642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.157642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.157642 (E_RNA) where: Base-Base interactions energy: -488.029 where: short stacking energy: -202.805 Base-Backbone interact. energy: 2.203 local terms energy: -228.331530 where: bonds (distance) C4'-P energy: -31.494 bonds (distance) P-C4' energy: -49.052 flat angles C4'-P-C4' energy: -55.989 flat angles P-C4'-P energy: -36.870 tors. eta vs tors. theta energy: -54.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -547.114258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.114258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.114258 (E_RNA) where: Base-Base interactions energy: -359.729 where: short stacking energy: -146.627 Base-Backbone interact. energy: -0.657 local terms energy: -186.728048 where: bonds (distance) C4'-P energy: -44.133 bonds (distance) P-C4' energy: -50.124 flat angles C4'-P-C4' energy: -36.850 flat angles P-C4'-P energy: -31.507 tors. eta vs tors. theta energy: -24.114 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -256.114894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.114894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.114894 (E_RNA) where: Base-Base interactions energy: -100.227 where: short stacking energy: -72.982 Base-Backbone interact. energy: 0.366 local terms energy: -156.253862 where: bonds (distance) C4'-P energy: -47.911 bonds (distance) P-C4' energy: -40.112 flat angles C4'-P-C4' energy: -45.650 flat angles P-C4'-P energy: -24.423 tors. eta vs tors. theta energy: 1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1072.315733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.315733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.315733 (E_RNA) where: Base-Base interactions energy: -773.133 where: short stacking energy: -303.977 Base-Backbone interact. energy: -0.773 local terms energy: -298.409286 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -64.794 flat angles P-C4'-P energy: -39.995 tors. eta vs tors. theta energy: -82.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1038.730732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.730732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.730732 (E_RNA) where: Base-Base interactions energy: -749.695 where: short stacking energy: -306.618 Base-Backbone interact. energy: 0.271 local terms energy: -289.306701 where: bonds (distance) C4'-P energy: -50.978 bonds (distance) P-C4' energy: -52.314 flat angles C4'-P-C4' energy: -59.024 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -81.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -997.612005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.612005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.612005 (E_RNA) where: Base-Base interactions energy: -688.278 where: short stacking energy: -298.640 Base-Backbone interact. energy: -0.562 local terms energy: -308.771974 where: bonds (distance) C4'-P energy: -48.438 bonds (distance) P-C4' energy: -67.647 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -86.440 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: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -933.968879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.968879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.968879 (E_RNA) where: Base-Base interactions energy: -654.382 where: short stacking energy: -260.989 Base-Backbone interact. energy: -1.487 local terms energy: -278.100120 where: bonds (distance) C4'-P energy: -43.352 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -59.878 flat angles P-C4'-P energy: -45.758 tors. eta vs tors. theta energy: -71.748 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: 10 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -928.994510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.994510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.994510 (E_RNA) where: Base-Base interactions energy: -645.045 where: short stacking energy: -263.083 Base-Backbone interact. energy: -1.192 local terms energy: -282.757834 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -61.177 flat angles C4'-P-C4' energy: -61.871 flat angles P-C4'-P energy: -30.398 tors. eta vs tors. theta energy: -73.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -816.999103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.999103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.999103 (E_RNA) where: Base-Base interactions energy: -549.615 where: short stacking energy: -230.148 Base-Backbone interact. energy: -0.340 local terms energy: -267.044244 where: bonds (distance) C4'-P energy: -56.312 bonds (distance) P-C4' energy: -52.203 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -54.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -709.615774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.615774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.615774 (E_RNA) where: Base-Base interactions energy: -490.799 where: short stacking energy: -206.457 Base-Backbone interact. energy: -0.895 local terms energy: -217.921443 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -43.276 flat angles C4'-P-C4' energy: -54.304 flat angles P-C4'-P energy: -26.369 tors. eta vs tors. theta energy: -43.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -693.191944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.191944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.191944 (E_RNA) where: Base-Base interactions energy: -462.996 where: short stacking energy: -191.964 Base-Backbone interact. energy: -1.244 local terms energy: -228.952421 where: bonds (distance) C4'-P energy: -39.460 bonds (distance) P-C4' energy: -61.072 flat angles C4'-P-C4' energy: -55.427 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -38.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -580.683050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.683050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.683050 (E_RNA) where: Base-Base interactions energy: -372.241 where: short stacking energy: -169.996 Base-Backbone interact. energy: 0.197 local terms energy: -208.639323 where: bonds (distance) C4'-P energy: -41.035 bonds (distance) P-C4' energy: -47.323 flat angles C4'-P-C4' energy: -45.871 flat angles P-C4'-P energy: -41.213 tors. eta vs tors. theta energy: -33.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -265.271715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.271715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.271715 (E_RNA) where: Base-Base interactions energy: -114.751 where: short stacking energy: -74.578 Base-Backbone interact. energy: 0.518 local terms energy: -151.038154 where: bonds (distance) C4'-P energy: -41.453 bonds (distance) P-C4' energy: -40.705 flat angles C4'-P-C4' energy: -31.231 flat angles P-C4'-P energy: -30.997 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1082.357216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.357216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.357216 (E_RNA) where: Base-Base interactions energy: -768.750 where: short stacking energy: -318.184 Base-Backbone interact. energy: -0.906 local terms energy: -312.701323 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -59.054 flat angles C4'-P-C4' energy: -62.439 flat angles P-C4'-P energy: -43.873 tors. eta vs tors. theta energy: -85.418 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: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1014.678998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.678998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.678998 (E_RNA) where: Base-Base interactions energy: -710.954 where: short stacking energy: -289.648 Base-Backbone interact. energy: -0.310 local terms energy: -303.414260 where: bonds (distance) C4'-P energy: -59.547 bonds (distance) P-C4' energy: -57.472 flat angles C4'-P-C4' energy: -61.829 flat angles P-C4'-P energy: -44.287 tors. eta vs tors. theta energy: -80.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1002.014970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.014970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.014970 (E_RNA) where: Base-Base interactions energy: -683.073 where: short stacking energy: -309.612 Base-Backbone interact. energy: -1.399 local terms energy: -317.543875 where: bonds (distance) C4'-P energy: -60.454 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -70.052 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -83.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -963.703741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.703741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.703741 (E_RNA) where: Base-Base interactions energy: -678.043 where: short stacking energy: -270.408 Base-Backbone interact. energy: -1.313 local terms energy: -284.347803 where: bonds (distance) C4'-P energy: -46.457 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -77.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -927.943007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.943007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.943007 (E_RNA) where: Base-Base interactions energy: -658.897 where: short stacking energy: -282.703 Base-Backbone interact. energy: -0.371 local terms energy: -268.675150 where: bonds (distance) C4'-P energy: -48.508 bonds (distance) P-C4' energy: -50.084 flat angles C4'-P-C4' energy: -55.162 flat angles P-C4'-P energy: -38.155 tors. eta vs tors. theta energy: -76.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -845.182649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.182649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.182649 (E_RNA) where: Base-Base interactions energy: -596.485 where: short stacking energy: -259.460 Base-Backbone interact. energy: 0.035 local terms energy: -248.732258 where: bonds (distance) C4'-P energy: -48.016 bonds (distance) P-C4' energy: -44.502 flat angles C4'-P-C4' energy: -49.515 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -68.628 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: 7, replica: 2 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -744.951420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.951420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.951420 (E_RNA) where: Base-Base interactions energy: -485.854 where: short stacking energy: -211.105 Base-Backbone interact. energy: 1.934 local terms energy: -261.031600 where: bonds (distance) C4'-P energy: -51.913 bonds (distance) P-C4' energy: -58.107 flat angles C4'-P-C4' energy: -55.645 flat angles P-C4'-P energy: -40.442 tors. eta vs tors. theta energy: -54.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -606.680540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.680540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.680540 (E_RNA) where: Base-Base interactions energy: -388.755 where: short stacking energy: -183.383 Base-Backbone interact. energy: -1.822 local terms energy: -216.103189 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -50.455 flat angles C4'-P-C4' energy: -46.991 flat angles P-C4'-P energy: -32.890 tors. eta vs tors. theta energy: -30.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -641.486968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.486968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.486968 (E_RNA) where: Base-Base interactions energy: -444.535 where: short stacking energy: -187.442 Base-Backbone interact. energy: -1.515 local terms energy: -195.437593 where: bonds (distance) C4'-P energy: -39.476 bonds (distance) P-C4' energy: -49.241 flat angles C4'-P-C4' energy: -37.847 flat angles P-C4'-P energy: -33.046 tors. eta vs tors. theta energy: -35.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -293.768002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.768002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.768002 (E_RNA) where: Base-Base interactions energy: -158.843 where: short stacking energy: -90.865 Base-Backbone interact. energy: 3.211 local terms energy: -138.136392 where: bonds (distance) C4'-P energy: -45.110 bonds (distance) P-C4' energy: -36.871 flat angles C4'-P-C4' energy: -42.825 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -8.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1075.702518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.702518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.702518 (E_RNA) where: Base-Base interactions energy: -781.146 where: short stacking energy: -320.404 Base-Backbone interact. energy: -0.944 local terms energy: -293.611701 where: bonds (distance) C4'-P energy: -38.485 bonds (distance) P-C4' energy: -53.930 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -93.418 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: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1030.758431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.758431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.758431 (E_RNA) where: Base-Base interactions energy: -731.435 where: short stacking energy: -287.719 Base-Backbone interact. energy: -3.121 local terms energy: -296.202543 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -60.169 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -39.824 tors. eta vs tors. theta energy: -70.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -995.891038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.891038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.891038 (E_RNA) where: Base-Base interactions energy: -695.246 where: short stacking energy: -286.821 Base-Backbone interact. energy: -1.599 local terms energy: -299.046034 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -56.755 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -79.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -964.567323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.567323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.567323 (E_RNA) where: Base-Base interactions energy: -681.960 where: short stacking energy: -288.181 Base-Backbone interact. energy: 0.629 local terms energy: -283.236029 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -52.836 flat angles C4'-P-C4' energy: -56.263 flat angles P-C4'-P energy: -39.377 tors. eta vs tors. theta energy: -82.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -912.107513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.107513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.107513 (E_RNA) where: Base-Base interactions energy: -639.747 where: short stacking energy: -263.115 Base-Backbone interact. energy: 0.047 local terms energy: -272.407454 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -53.272 flat angles P-C4'-P energy: -28.844 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: 6, replica: 8 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -880.674920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.674920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.674920 (E_RNA) where: Base-Base interactions energy: -597.606 where: short stacking energy: -266.048 Base-Backbone interact. energy: -1.117 local terms energy: -281.951725 where: bonds (distance) C4'-P energy: -55.956 bonds (distance) P-C4' energy: -54.366 flat angles C4'-P-C4' energy: -61.036 flat angles P-C4'-P energy: -36.835 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: 7, replica: 2 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -708.057323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.057323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.057323 (E_RNA) where: Base-Base interactions energy: -471.324 where: short stacking energy: -208.440 Base-Backbone interact. energy: -0.974 local terms energy: -235.759292 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -54.322 flat angles C4'-P-C4' energy: -45.677 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: -41.725 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: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -600.840241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.840241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.840241 (E_RNA) where: Base-Base interactions energy: -393.997 where: short stacking energy: -154.505 Base-Backbone interact. energy: -0.901 local terms energy: -205.942070 where: bonds (distance) C4'-P energy: -47.918 bonds (distance) P-C4' energy: -41.111 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -24.701 tors. eta vs tors. theta energy: -27.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -621.721916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.721916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.721916 (E_RNA) where: Base-Base interactions energy: -402.917 where: short stacking energy: -186.535 Base-Backbone interact. energy: -0.491 local terms energy: -218.313570 where: bonds (distance) C4'-P energy: -48.510 bonds (distance) P-C4' energy: -43.984 flat angles C4'-P-C4' energy: -55.791 flat angles P-C4'-P energy: -25.169 tors. eta vs tors. theta energy: -44.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -322.494678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.494678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.494678 (E_RNA) where: Base-Base interactions energy: -158.137 where: short stacking energy: -95.546 Base-Backbone interact. energy: -0.308 local terms energy: -164.049012 where: bonds (distance) C4'-P energy: -38.738 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -38.412 flat angles P-C4'-P energy: -24.084 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1062.754328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.754328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.754328 (E_RNA) where: Base-Base interactions energy: -758.379 where: short stacking energy: -305.246 Base-Backbone interact. energy: -0.878 local terms energy: -303.497290 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -51.059 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -43.609 tors. eta vs tors. theta energy: -82.476 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: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1001.170826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.170826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.170826 (E_RNA) where: Base-Base interactions energy: -710.079 where: short stacking energy: -294.996 Base-Backbone interact. energy: -1.126 local terms energy: -289.966017 where: bonds (distance) C4'-P energy: -48.096 bonds (distance) P-C4' energy: -51.077 flat angles C4'-P-C4' energy: -67.831 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -82.548 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: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1018.238997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.238997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.238997 (E_RNA) where: Base-Base interactions energy: -726.260 where: short stacking energy: -293.655 Base-Backbone interact. energy: -1.495 local terms energy: -290.483555 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -61.503 flat angles P-C4'-P energy: -33.550 tors. eta vs tors. theta energy: -77.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -955.535292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.535292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.535292 (E_RNA) where: Base-Base interactions energy: -669.034 where: short stacking energy: -295.722 Base-Backbone interact. energy: -0.002 local terms energy: -286.499598 where: bonds (distance) C4'-P energy: -56.675 bonds (distance) P-C4' energy: -41.222 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -34.636 tors. eta vs tors. theta energy: -84.572 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: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -910.727043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.727043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.727043 (E_RNA) where: Base-Base interactions energy: -648.633 where: short stacking energy: -254.625 Base-Backbone interact. energy: -1.519 local terms energy: -260.574273 where: bonds (distance) C4'-P energy: -44.216 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -60.530 flat angles P-C4'-P energy: -31.948 tors. eta vs tors. theta energy: -70.730 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: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -850.479348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.479348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.479348 (E_RNA) where: Base-Base interactions energy: -594.863 where: short stacking energy: -237.246 Base-Backbone interact. energy: -0.382 local terms energy: -255.234867 where: bonds (distance) C4'-P energy: -53.473 bonds (distance) P-C4' energy: -49.381 flat angles C4'-P-C4' energy: -58.419 flat angles P-C4'-P energy: -28.671 tors. eta vs tors. theta energy: -65.291 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: 2 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -719.698680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.698680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.698680 (E_RNA) where: Base-Base interactions energy: -487.795 where: short stacking energy: -226.740 Base-Backbone interact. energy: 0.137 local terms energy: -232.040800 where: bonds (distance) C4'-P energy: -40.707 bonds (distance) P-C4' energy: -38.715 flat angles C4'-P-C4' energy: -55.573 flat angles P-C4'-P energy: -38.921 tors. eta vs tors. theta energy: -58.124 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: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -690.498304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.498304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.498304 (E_RNA) where: Base-Base interactions energy: -442.915 where: short stacking energy: -193.037 Base-Backbone interact. energy: -0.189 local terms energy: -247.394459 where: bonds (distance) C4'-P energy: -43.343 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -51.877 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -52.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -568.893832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.893832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.893832 (E_RNA) where: Base-Base interactions energy: -348.070 where: short stacking energy: -162.791 Base-Backbone interact. energy: 0.681 local terms energy: -221.504853 where: bonds (distance) C4'-P energy: -55.801 bonds (distance) P-C4' energy: -49.973 flat angles C4'-P-C4' energy: -54.006 flat angles P-C4'-P energy: -31.145 tors. eta vs tors. theta energy: -30.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -312.250629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.250629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.250629 (E_RNA) where: Base-Base interactions energy: -150.671 where: short stacking energy: -91.847 Base-Backbone interact. energy: 0.332 local terms energy: -161.911407 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -43.921 flat angles C4'-P-C4' energy: -40.017 flat angles P-C4'-P energy: -23.637 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1073.238157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.238157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.238157 (E_RNA) where: Base-Base interactions energy: -763.230 where: short stacking energy: -302.013 Base-Backbone interact. energy: -0.959 local terms energy: -309.049007 where: bonds (distance) C4'-P energy: -52.580 bonds (distance) P-C4' energy: -57.894 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -45.818 tors. eta vs tors. theta energy: -85.772 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: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1030.983193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.983193 (E_RNA) where: Base-Base interactions energy: -725.381 where: short stacking energy: -297.882 Base-Backbone interact. energy: 1.689 local terms energy: -307.291696 where: bonds (distance) C4'-P energy: -57.953 bonds (distance) P-C4' energy: -62.175 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -47.292 tors. eta vs tors. theta energy: -85.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1007.852391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.852391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.852391 (E_RNA) where: Base-Base interactions energy: -711.128 where: short stacking energy: -280.235 Base-Backbone interact. energy: -2.565 local terms energy: -294.159189 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -65.662 flat angles C4'-P-C4' energy: -56.865 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -75.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -960.459958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.459958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.459958 (E_RNA) where: Base-Base interactions energy: -683.581 where: short stacking energy: -285.775 Base-Backbone interact. energy: 1.644 local terms energy: -278.523001 where: bonds (distance) C4'-P energy: -48.123 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -64.193 flat angles P-C4'-P energy: -27.605 tors. eta vs tors. theta energy: -81.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -907.600819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.600819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.600819 (E_RNA) where: Base-Base interactions energy: -646.214 where: short stacking energy: -261.005 Base-Backbone interact. energy: 1.408 local terms energy: -262.795231 where: bonds (distance) C4'-P energy: -40.946 bonds (distance) P-C4' energy: -53.351 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -40.714 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: 492 Temperature: 1.150000 Total energy: -896.033951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.033951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.033951 (E_RNA) where: Base-Base interactions energy: -616.462 where: short stacking energy: -259.161 Base-Backbone interact. energy: -0.468 local terms energy: -279.104652 where: bonds (distance) C4'-P energy: -57.098 bonds (distance) P-C4' energy: -52.333 flat angles C4'-P-C4' energy: -57.732 flat angles P-C4'-P energy: -40.502 tors. eta vs tors. theta energy: -71.440 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: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -753.379642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.379642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.379642 (E_RNA) where: Base-Base interactions energy: -501.937 where: short stacking energy: -219.890 Base-Backbone interact. energy: 1.672 local terms energy: -253.114223 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -44.616 flat angles C4'-P-C4' energy: -53.693 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -55.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -643.799780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.799780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.799780 (E_RNA) where: Base-Base interactions energy: -437.367 where: short stacking energy: -186.280 Base-Backbone interact. energy: -1.284 local terms energy: -205.149436 where: bonds (distance) C4'-P energy: -35.231 bonds (distance) P-C4' energy: -51.411 flat angles C4'-P-C4' energy: -50.570 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: -32.044 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: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -519.348736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.348736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.348736 (E_RNA) where: Base-Base interactions energy: -331.768 where: short stacking energy: -138.584 Base-Backbone interact. energy: -0.507 local terms energy: -187.073897 where: bonds (distance) C4'-P energy: -49.547 bonds (distance) P-C4' energy: -45.353 flat angles C4'-P-C4' energy: -40.084 flat angles P-C4'-P energy: -29.731 tors. eta vs tors. theta energy: -22.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -314.529060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.529060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.529060 (E_RNA) where: Base-Base interactions energy: -138.552 where: short stacking energy: -83.452 Base-Backbone interact. energy: -1.474 local terms energy: -174.502583 where: bonds (distance) C4'-P energy: -54.918 bonds (distance) P-C4' energy: -49.978 flat angles C4'-P-C4' energy: -45.716 flat angles P-C4'-P energy: -29.140 tors. eta vs tors. theta energy: 5.248 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: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1095.781894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.781894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.781894 (E_RNA) where: Base-Base interactions energy: -780.292 where: short stacking energy: -315.376 Base-Backbone interact. energy: -0.170 local terms energy: -315.319083 where: bonds (distance) C4'-P energy: -53.980 bonds (distance) P-C4' energy: -60.213 flat angles C4'-P-C4' energy: -66.147 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -91.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1016.763101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.763101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.763101 (E_RNA) where: Base-Base interactions energy: -734.814 where: short stacking energy: -296.104 Base-Backbone interact. energy: -0.472 local terms energy: -281.477637 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -51.960 flat angles C4'-P-C4' energy: -54.656 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -76.829 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: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -982.488130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.488130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.488130 (E_RNA) where: Base-Base interactions energy: -674.012 where: short stacking energy: -286.966 Base-Backbone interact. energy: -0.742 local terms energy: -307.734650 where: bonds (distance) C4'-P energy: -56.930 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -79.091 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: 493 Temperature: 1.050000 Total energy: -940.380225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.380225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.380225 (E_RNA) where: Base-Base interactions energy: -676.875 where: short stacking energy: -271.973 Base-Backbone interact. energy: 0.833 local terms energy: -264.338360 where: bonds (distance) C4'-P energy: -45.551 bonds (distance) P-C4' energy: -53.178 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -42.797 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: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -923.666191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.666191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.666191 (E_RNA) where: Base-Base interactions energy: -655.102 where: short stacking energy: -274.787 Base-Backbone interact. energy: 1.245 local terms energy: -269.809377 where: bonds (distance) C4'-P energy: -52.826 bonds (distance) P-C4' energy: -36.042 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -38.503 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: 6, replica: 8 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -850.227195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.227195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.227195 (E_RNA) where: Base-Base interactions energy: -577.076 where: short stacking energy: -252.069 Base-Backbone interact. energy: -1.925 local terms energy: -271.225851 where: bonds (distance) C4'-P energy: -52.582 bonds (distance) P-C4' energy: -55.412 flat angles C4'-P-C4' energy: -53.881 flat angles P-C4'-P energy: -36.062 tors. eta vs tors. theta energy: -73.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -759.599027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.599027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.599027 (E_RNA) where: Base-Base interactions energy: -513.333 where: short stacking energy: -217.956 Base-Backbone interact. energy: -0.412 local terms energy: -245.853235 where: bonds (distance) C4'-P energy: -48.431 bonds (distance) P-C4' energy: -49.157 flat angles C4'-P-C4' energy: -55.757 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -60.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -668.149823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.149823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.149823 (E_RNA) where: Base-Base interactions energy: -453.131 where: short stacking energy: -203.123 Base-Backbone interact. energy: -1.033 local terms energy: -213.985821 where: bonds (distance) C4'-P energy: -48.665 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -53.211 flat angles P-C4'-P energy: -26.599 tors. eta vs tors. theta energy: -32.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -526.383710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.383710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.383710 (E_RNA) where: Base-Base interactions energy: -336.792 where: short stacking energy: -150.855 Base-Backbone interact. energy: 0.228 local terms energy: -189.819779 where: bonds (distance) C4'-P energy: -42.025 bonds (distance) P-C4' energy: -49.970 flat angles C4'-P-C4' energy: -44.252 flat angles P-C4'-P energy: -28.116 tors. eta vs tors. theta energy: -25.458 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: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -300.892791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.892791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.892791 (E_RNA) where: Base-Base interactions energy: -138.027 where: short stacking energy: -83.227 Base-Backbone interact. energy: 1.547 local terms energy: -164.412886 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -54.030 flat angles C4'-P-C4' energy: -38.786 flat angles P-C4'-P energy: -22.896 tors. eta vs tors. theta energy: 5.497 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: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1093.975940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.975940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.975940 (E_RNA) where: Base-Base interactions energy: -780.543 where: short stacking energy: -307.734 Base-Backbone interact. energy: 1.456 local terms energy: -314.888389 where: bonds (distance) C4'-P energy: -51.428 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -72.096 flat angles P-C4'-P energy: -44.600 tors. eta vs tors. theta energy: -89.201 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: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1011.656403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.656403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.656403 (E_RNA) where: Base-Base interactions energy: -724.652 where: short stacking energy: -286.042 Base-Backbone interact. energy: -1.268 local terms energy: -285.736050 where: bonds (distance) C4'-P energy: -55.332 bonds (distance) P-C4' energy: -57.841 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -75.263 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: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -991.934056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.934056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.934056 (E_RNA) where: Base-Base interactions energy: -700.860 where: short stacking energy: -272.450 Base-Backbone interact. energy: 0.772 local terms energy: -291.846159 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -963.397656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.397656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.397656 (E_RNA) where: Base-Base interactions energy: -666.098 where: short stacking energy: -258.405 Base-Backbone interact. energy: -1.814 local terms energy: -295.485137 where: bonds (distance) C4'-P energy: -56.957 bonds (distance) P-C4' energy: -55.425 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -45.292 tors. eta vs tors. theta energy: -76.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -919.613494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.613494 (E_RNA) where: Base-Base interactions energy: -652.993 where: short stacking energy: -279.235 Base-Backbone interact. energy: -2.722 local terms energy: -263.898168 where: bonds (distance) C4'-P energy: -41.882 bonds (distance) P-C4' energy: -51.253 flat angles C4'-P-C4' energy: -53.760 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -82.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -827.104917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.104917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.104917 (E_RNA) where: Base-Base interactions energy: -567.452 where: short stacking energy: -242.193 Base-Backbone interact. energy: -0.613 local terms energy: -259.039463 where: bonds (distance) C4'-P energy: -50.857 bonds (distance) P-C4' energy: -47.945 flat angles C4'-P-C4' energy: -58.559 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -62.527 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: 7, replica: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -721.920716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.920716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.920716 (E_RNA) where: Base-Base interactions energy: -478.976 where: short stacking energy: -214.760 Base-Backbone interact. energy: 2.174 local terms energy: -245.119354 where: bonds (distance) C4'-P energy: -42.099 bonds (distance) P-C4' energy: -54.916 flat angles C4'-P-C4' energy: -59.752 flat angles P-C4'-P energy: -36.253 tors. eta vs tors. theta energy: -52.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -710.610634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.610634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.610634 (E_RNA) where: Base-Base interactions energy: -472.874 where: short stacking energy: -202.642 Base-Backbone interact. energy: 0.221 local terms energy: -237.958320 where: bonds (distance) C4'-P energy: -45.822 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -51.824 flat angles P-C4'-P energy: -25.388 tors. eta vs tors. theta energy: -52.111 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: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -545.336545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.336545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.336545 (E_RNA) where: Base-Base interactions energy: -339.763 where: short stacking energy: -157.318 Base-Backbone interact. energy: 3.010 local terms energy: -208.584144 where: bonds (distance) C4'-P energy: -48.970 bonds (distance) P-C4' energy: -51.263 flat angles C4'-P-C4' energy: -46.849 flat angles P-C4'-P energy: -27.686 tors. eta vs tors. theta energy: -33.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -328.800053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.800053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.800053 (E_RNA) where: Base-Base interactions energy: -179.086 where: short stacking energy: -93.104 Base-Backbone interact. energy: -0.700 local terms energy: -149.014124 where: bonds (distance) C4'-P energy: -41.073 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -40.603 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: 0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1072.225294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.225294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.225294 (E_RNA) where: Base-Base interactions energy: -758.219 where: short stacking energy: -311.316 Base-Backbone interact. energy: 0.665 local terms energy: -314.670951 where: bonds (distance) C4'-P energy: -58.984 bonds (distance) P-C4' energy: -54.087 flat angles C4'-P-C4' energy: -69.999 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -87.470 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: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1005.823177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.823177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.823177 (E_RNA) where: Base-Base interactions energy: -703.335 where: short stacking energy: -280.013 Base-Backbone interact. energy: -1.818 local terms energy: -300.670173 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -64.592 flat angles C4'-P-C4' energy: -63.026 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: -74.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -988.707689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.707689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.707689 (E_RNA) where: Base-Base interactions energy: -694.613 where: short stacking energy: -303.795 Base-Backbone interact. energy: -1.649 local terms energy: -292.446396 where: bonds (distance) C4'-P energy: -47.323 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -42.352 tors. eta vs tors. theta energy: -79.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -955.789430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.789430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.789430 (E_RNA) where: Base-Base interactions energy: -664.744 where: short stacking energy: -283.929 Base-Backbone interact. energy: -0.531 local terms energy: -290.514441 where: bonds (distance) C4'-P energy: -52.271 bonds (distance) P-C4' energy: -47.796 flat angles C4'-P-C4' energy: -59.763 flat angles P-C4'-P energy: -43.572 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: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -933.384064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.384064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.384064 (E_RNA) where: Base-Base interactions energy: -651.642 where: short stacking energy: -284.391 Base-Backbone interact. energy: -2.612 local terms energy: -279.130513 where: bonds (distance) C4'-P energy: -40.931 bonds (distance) P-C4' energy: -48.789 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -38.335 tors. eta vs tors. theta energy: -81.368 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: 6, replica: 8 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -852.633470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.633470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.633470 (E_RNA) where: Base-Base interactions energy: -586.232 where: short stacking energy: -246.839 Base-Backbone interact. energy: -0.486 local terms energy: -265.915526 where: bonds (distance) C4'-P energy: -49.041 bonds (distance) P-C4' energy: -53.644 flat angles C4'-P-C4' energy: -51.902 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -71.999 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: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -718.040446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.040446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.040446 (E_RNA) where: Base-Base interactions energy: -474.512 where: short stacking energy: -227.965 Base-Backbone interact. energy: -1.201 local terms energy: -242.326869 where: bonds (distance) C4'-P energy: -47.402 bonds (distance) P-C4' energy: -47.708 flat angles C4'-P-C4' energy: -59.806 flat angles P-C4'-P energy: -29.718 tors. eta vs tors. theta energy: -57.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -702.913876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.913876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.913876 (E_RNA) where: Base-Base interactions energy: -459.531 where: short stacking energy: -193.648 Base-Backbone interact. energy: -1.920 local terms energy: -241.463321 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -53.322 flat angles P-C4'-P energy: -35.002 tors. eta vs tors. theta energy: -45.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -525.955919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.955919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.955919 (E_RNA) where: Base-Base interactions energy: -340.001 where: short stacking energy: -165.186 Base-Backbone interact. energy: -1.084 local terms energy: -184.871444 where: bonds (distance) C4'-P energy: -45.363 bonds (distance) P-C4' energy: -39.845 flat angles C4'-P-C4' energy: -46.488 flat angles P-C4'-P energy: -28.131 tors. eta vs tors. theta energy: -25.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -353.785356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.785356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.785356 (E_RNA) where: Base-Base interactions energy: -177.439 where: short stacking energy: -115.755 Base-Backbone interact. energy: -1.267 local terms energy: -175.080126 where: bonds (distance) C4'-P energy: -41.695 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -40.888 flat angles P-C4'-P energy: -24.939 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1070.591993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.591993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.591993 (E_RNA) where: Base-Base interactions energy: -753.924 where: short stacking energy: -304.755 Base-Backbone interact. energy: -2.236 local terms energy: -314.431803 where: bonds (distance) C4'-P energy: -59.448 bonds (distance) P-C4' energy: -59.522 flat angles C4'-P-C4' energy: -61.946 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -85.399 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: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1011.558902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.558902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.558902 (E_RNA) where: Base-Base interactions energy: -706.133 where: short stacking energy: -283.324 Base-Backbone interact. energy: -2.867 local terms energy: -302.559137 where: bonds (distance) C4'-P energy: -59.347 bonds (distance) P-C4' energy: -56.775 flat angles C4'-P-C4' energy: -61.533 flat angles P-C4'-P energy: -47.954 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: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -973.578013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.578013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.578013 (E_RNA) where: Base-Base interactions energy: -688.657 where: short stacking energy: -288.771 Base-Backbone interact. energy: -0.371 local terms energy: -284.550037 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -54.204 flat angles C4'-P-C4' energy: -58.985 flat angles P-C4'-P energy: -34.571 tors. eta vs tors. theta energy: -77.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -965.883834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.883834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.883834 (E_RNA) where: Base-Base interactions energy: -682.257 where: short stacking energy: -282.602 Base-Backbone interact. energy: 0.778 local terms energy: -284.405050 where: bonds (distance) C4'-P energy: -49.531 bonds (distance) P-C4' energy: -53.890 flat angles C4'-P-C4' energy: -61.505 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -75.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -942.074917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.074917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.074917 (E_RNA) where: Base-Base interactions energy: -655.623 where: short stacking energy: -287.560 Base-Backbone interact. energy: -1.305 local terms energy: -285.146374 where: bonds (distance) C4'-P energy: -44.247 bonds (distance) P-C4' energy: -49.728 flat angles C4'-P-C4' energy: -61.625 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -82.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -856.826924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.826924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.826924 (E_RNA) where: Base-Base interactions energy: -582.639 where: short stacking energy: -244.187 Base-Backbone interact. energy: 0.810 local terms energy: -274.997245 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -49.398 flat angles C4'-P-C4' energy: -54.198 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -67.958 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: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -761.203136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.203136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.203136 (E_RNA) where: Base-Base interactions energy: -507.506 where: short stacking energy: -215.009 Base-Backbone interact. energy: -1.102 local terms energy: -252.594630 where: bonds (distance) C4'-P energy: -57.770 bonds (distance) P-C4' energy: -42.581 flat angles C4'-P-C4' energy: -51.582 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -60.413 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: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -694.172772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.172772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.172772 (E_RNA) where: Base-Base interactions energy: -446.210 where: short stacking energy: -185.580 Base-Backbone interact. energy: 0.427 local terms energy: -248.389985 where: bonds (distance) C4'-P energy: -52.140 bonds (distance) P-C4' energy: -55.349 flat angles C4'-P-C4' energy: -57.569 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -49.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -550.649744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.649744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.649744 (E_RNA) where: Base-Base interactions energy: -336.563 where: short stacking energy: -151.076 Base-Backbone interact. energy: -1.206 local terms energy: -212.881192 where: bonds (distance) C4'-P energy: -52.377 bonds (distance) P-C4' energy: -52.571 flat angles C4'-P-C4' energy: -55.790 flat angles P-C4'-P energy: -22.686 tors. eta vs tors. theta energy: -29.458 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: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -330.878111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.878111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.878111 (E_RNA) where: Base-Base interactions energy: -150.523 where: short stacking energy: -93.617 Base-Backbone interact. energy: -0.177 local terms energy: -180.178480 where: bonds (distance) C4'-P energy: -46.062 bonds (distance) P-C4' energy: -52.561 flat angles C4'-P-C4' energy: -44.055 flat angles P-C4'-P energy: -25.767 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: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1073.248103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.248103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.248103 (E_RNA) where: Base-Base interactions energy: -761.772 where: short stacking energy: -309.963 Base-Backbone interact. energy: -1.907 local terms energy: -309.568888 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -52.310 flat angles C4'-P-C4' energy: -62.630 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -85.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1021.062088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.062088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.062088 (E_RNA) where: Base-Base interactions energy: -713.592 where: short stacking energy: -262.380 Base-Backbone interact. energy: 0.936 local terms energy: -308.405453 where: bonds (distance) C4'-P energy: -59.433 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -65.616 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -75.978 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: 497 Temperature: 1.000000 Total energy: -952.858629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.858629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.858629 (E_RNA) where: Base-Base interactions energy: -667.396 where: short stacking energy: -277.180 Base-Backbone interact. energy: -0.579 local terms energy: -284.882882 where: bonds (distance) C4'-P energy: -49.921 bonds (distance) P-C4' energy: -54.935 flat angles C4'-P-C4' energy: -57.549 flat angles P-C4'-P energy: -38.504 tors. eta vs tors. theta energy: -83.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -960.964026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.964026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.964026 (E_RNA) where: Base-Base interactions energy: -655.171 where: short stacking energy: -273.255 Base-Backbone interact. energy: -1.325 local terms energy: -304.467589 where: bonds (distance) C4'-P energy: -58.200 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -69.539 flat angles P-C4'-P energy: -39.591 tors. eta vs tors. theta energy: -82.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -929.810082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.810082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.810082 (E_RNA) where: Base-Base interactions energy: -653.336 where: short stacking energy: -278.078 Base-Backbone interact. energy: -0.069 local terms energy: -276.405577 where: bonds (distance) C4'-P energy: -45.541 bonds (distance) P-C4' energy: -56.259 flat angles C4'-P-C4' energy: -55.657 flat angles P-C4'-P energy: -37.401 tors. eta vs tors. theta energy: -81.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -842.969095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.969095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.969095 (E_RNA) where: Base-Base interactions energy: -594.027 where: short stacking energy: -258.232 Base-Backbone interact. energy: 2.682 local terms energy: -251.623647 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -49.016 flat angles C4'-P-C4' energy: -51.865 flat angles P-C4'-P energy: -35.699 tors. eta vs tors. theta energy: -68.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -750.671104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.671104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.671104 (E_RNA) where: Base-Base interactions energy: -508.846 where: short stacking energy: -221.152 Base-Backbone interact. energy: 0.830 local terms energy: -242.655119 where: bonds (distance) C4'-P energy: -44.981 bonds (distance) P-C4' energy: -55.792 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -53.709 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: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -706.905175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.905175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.905175 (E_RNA) where: Base-Base interactions energy: -484.029 where: short stacking energy: -215.556 Base-Backbone interact. energy: 0.908 local terms energy: -223.783653 where: bonds (distance) C4'-P energy: -46.610 bonds (distance) P-C4' energy: -41.229 flat angles C4'-P-C4' energy: -59.450 flat angles P-C4'-P energy: -26.492 tors. eta vs tors. theta energy: -50.003 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: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -525.319244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.319244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.319244 (E_RNA) where: Base-Base interactions energy: -343.287 where: short stacking energy: -161.367 Base-Backbone interact. energy: 3.062 local terms energy: -185.094211 where: bonds (distance) C4'-P energy: -37.522 bonds (distance) P-C4' energy: -38.488 flat angles C4'-P-C4' energy: -54.219 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: -26.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -309.396602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.396602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.396602 (E_RNA) where: Base-Base interactions energy: -150.911 where: short stacking energy: -102.493 Base-Backbone interact. energy: 2.363 local terms energy: -160.848261 where: bonds (distance) C4'-P energy: -48.798 bonds (distance) P-C4' energy: -38.794 flat angles C4'-P-C4' energy: -47.180 flat angles P-C4'-P energy: -30.306 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: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1065.875749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.875749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.875749 (E_RNA) where: Base-Base interactions energy: -753.785 where: short stacking energy: -295.840 Base-Backbone interact. energy: 0.839 local terms energy: -312.929500 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -60.097 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -82.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1032.294365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.294365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.294365 (E_RNA) where: Base-Base interactions energy: -725.640 where: short stacking energy: -287.099 Base-Backbone interact. energy: -0.278 local terms energy: -306.376079 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -69.605 flat angles P-C4'-P energy: -40.292 tors. eta vs tors. theta energy: -78.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -956.554923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.554923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.554923 (E_RNA) where: Base-Base interactions energy: -671.221 where: short stacking energy: -265.268 Base-Backbone interact. energy: -1.100 local terms energy: -284.234730 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -57.214 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -76.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -971.368641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.368641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.368641 (E_RNA) where: Base-Base interactions energy: -682.153 where: short stacking energy: -301.264 Base-Backbone interact. energy: 1.637 local terms energy: -290.852811 where: bonds (distance) C4'-P energy: -49.691 bonds (distance) P-C4' energy: -56.880 flat angles C4'-P-C4' energy: -56.613 flat angles P-C4'-P energy: -43.002 tors. eta vs tors. theta energy: -84.667 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: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -916.480711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.480711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.480711 (E_RNA) where: Base-Base interactions energy: -629.813 where: short stacking energy: -268.288 Base-Backbone interact. energy: -0.617 local terms energy: -286.051188 where: bonds (distance) C4'-P energy: -46.743 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -60.908 flat angles P-C4'-P energy: -42.087 tors. eta vs tors. theta energy: -76.574 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: 498 Temperature: 1.150000 Total energy: -854.180005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.180005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.180005 (E_RNA) where: Base-Base interactions energy: -585.757 where: short stacking energy: -255.330 Base-Backbone interact. energy: -0.601 local terms energy: -267.822068 where: bonds (distance) C4'-P energy: -37.017 bonds (distance) P-C4' energy: -59.960 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -66.783 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: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -786.074080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.074080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.074080 (E_RNA) where: Base-Base interactions energy: -537.030 where: short stacking energy: -247.423 Base-Backbone interact. energy: -0.301 local terms energy: -248.743668 where: bonds (distance) C4'-P energy: -40.260 bonds (distance) P-C4' energy: -43.702 flat angles C4'-P-C4' energy: -60.613 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -59.894 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: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -673.831062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.831062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.831062 (E_RNA) where: Base-Base interactions energy: -455.764 where: short stacking energy: -192.780 Base-Backbone interact. energy: -0.353 local terms energy: -217.714157 where: bonds (distance) C4'-P energy: -50.282 bonds (distance) P-C4' energy: -44.521 flat angles C4'-P-C4' energy: -41.573 flat angles P-C4'-P energy: -31.385 tors. eta vs tors. theta energy: -49.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -552.169683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.169683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.169683 (E_RNA) where: Base-Base interactions energy: -357.857 where: short stacking energy: -166.650 Base-Backbone interact. energy: -0.673 local terms energy: -193.639246 where: bonds (distance) C4'-P energy: -49.658 bonds (distance) P-C4' energy: -44.590 flat angles C4'-P-C4' energy: -47.354 flat angles P-C4'-P energy: -20.506 tors. eta vs tors. theta energy: -31.531 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: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -338.184306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.184306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.184306 (E_RNA) where: Base-Base interactions energy: -166.576 where: short stacking energy: -93.610 Base-Backbone interact. energy: 1.449 local terms energy: -173.057426 where: bonds (distance) C4'-P energy: -52.353 bonds (distance) P-C4' energy: -56.849 flat angles C4'-P-C4' energy: -43.811 flat angles P-C4'-P energy: -24.372 tors. eta vs tors. theta energy: 4.328 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)